
 CHEMBL74823

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.9663    0.1723   -0.0647 C   0  0  0  0  0
    2.4122    0.0945    0.1307 N   0  0  0  0  0
    2.7946    0.1032    1.5461 C   0  0  0  0  0
    2.4906   -1.2062    2.2746 C   0  0  0  0  0
    3.0833   -2.3993    1.5284 C   0  0  0  0  0
    2.7270   -2.3916    0.0428 C   0  0  0  0  0
    3.0216   -1.0298   -0.5858 C   0  0  0  0  0
    2.6668   -3.6994    2.1697 C   0  0  0  0  0
    1.4978   -4.0581    2.2312 O   0  0  0  0  0
    3.7991   -4.3387    2.6024 N   0  0  0  0  0
    4.8813   -3.5555    2.3162 C   0  0  0  0  0
    6.0618   -3.7471    2.5652 O   0  0  0  0  0
    4.5001   -2.4086    1.6808 O   0  0  0  0  0
    3.8401   -5.6167    3.2507 C   0  0  0  0  0
    2.6670   -6.2822    3.6495 C   0  0  0  0  0
    2.7148   -7.5331    4.2774 C   0  0  0  0  0
    3.9288   -8.1583    4.5258 C   0  0  0  0  0
    5.1035   -7.5251    4.1431 C   0  0  0  0  0
    5.0569   -6.2728    3.5154 C   0  0  0  0  0
    1.2510   -8.3067    4.7521 Cl  0  0  0  0  0
    0.7291    0.2514   -1.1315 H   0  0  0  0  0
    0.5654    1.0750    0.4096 H   0  0  0  0  0
    0.4286   -0.6910    0.3395 H   0  0  0  0  0
    2.3064    0.9372    2.0656 H   0  0  0  0  0
    3.8706    0.3111    1.6130 H   0  0  0  0  0
    2.9075   -1.1465    3.2880 H   0  0  0  0  0
    1.4060   -1.3246    2.3880 H   0  0  0  0  0
    3.3068   -3.1553   -0.4912 H   0  0  0  0  0
    1.6691   -2.6449   -0.0993 H   0  0  0  0  0
    4.1079   -0.8744   -0.6159 H   0  0  0  0  0
    2.7004   -1.0301   -1.6347 H   0  0  0  0  0
    1.6829   -5.8501    3.5002 H   0  0  0  0  0
    3.9659   -9.1290    5.0122 H   0  0  0  0  0
    6.0642   -8.0013    4.3273 H   0  0  0  0  0
    6.0166   -5.8486    3.2328 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 20  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL74823

>  <PubChem CID>
14956875

>  <Formula>
C14H15ClN2O3

>  <Molecular Weight>
294.735000

>  <IUPAC Name>
3-(3-chlorophenyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)C3=CC(=CC=C3)Cl

>  <Isomeric SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)C3=CC(=CC=C3)Cl

>  <InChI Std. ID>
InChI=1S/C14H15ClN2O3/c1-16-7-5-14(6-8-16)12(18)17(13(19)20-14)11-4-2-3-10(15)9-11/h2-4,9H,5-8H2,1H3

>  <InChI Key>
CANVZWCREHESOT-UHFFFAOYSA-N

