
 NAPTALAM

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.8827    1.0475   -2.6773 C   0  0  0  0  0
    0.7180   -0.3279   -2.7322 C   0  0  0  0  0
    0.0946   -1.0017   -1.6754 C   0  0  0  0  0
   -0.3834   -0.3238   -0.5212 C   0  0  0  0  0
   -0.1688    1.0818   -0.4806 C   0  0  0  0  0
    0.4443    1.7458   -1.5564 C   0  0  0  0  0
   -0.5641    1.8234    0.6381 C   0  0  0  0  0
   -1.1607    1.2013    1.7264 C   0  0  0  0  0
   -1.4001   -0.1699    1.7000 C   0  0  0  0  0
   -1.0469   -0.9466    0.5889 C   0  0  0  0  0
   -1.3559   -2.3360    0.5359 N   0  0  0  0  0
   -2.0068   -3.1018    1.4917 C   0  0  0  0  0
   -2.4324   -2.7358    2.5794 O   0  0  0  0  0
   -2.1530   -4.5415    1.1438 C   0  0  0  0  0
   -1.0393   -5.2382    0.6441 C   0  0  0  0  0
   -1.1106   -6.6157    0.4206 C   0  0  0  0  0
   -2.2818   -7.3123    0.7126 C   0  0  0  0  0
   -3.3906   -6.6323    1.2168 C   0  0  0  0  0
   -3.3336   -5.2451    1.4209 C   0  0  0  0  0
   -4.5648   -4.5962    1.9098 C   0  0  0  0  0
   -5.3246   -5.0462    2.7448 O   0  0  0  0  0
   -4.8604   -3.5070    1.1792 O   0  0  0  0  0
    1.3575    1.5778   -3.4984 H   0  0  0  0  0
    1.0743   -0.8821   -3.5970 H   0  0  0  0  0
    0.0080   -2.0786   -1.7732 H   0  0  0  0  0
    0.5894    2.8243   -1.5267 H   0  0  0  0  0
   -0.4011    2.8985    0.6775 H   0  0  0  0  0
   -1.4517    1.7832    2.5971 H   0  0  0  0  0
   -1.8799   -0.6006    2.5722 H   0  0  0  0  0
   -1.1418   -2.8000   -0.3331 H   0  0  0  0  0
   -0.0949   -4.7278    0.4693 H   0  0  0  0  0
   -0.2416   -7.1518    0.0450 H   0  0  0  0  0
   -2.3301   -8.3882    0.5583 H   0  0  0  0  0
   -4.3015   -7.1819    1.4481 H   0  0  0  0  0
   -5.6729   -3.1544    1.5990 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 29  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 32  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 20  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 35  1  0  0  0
M  END

>  <Chemical Name>
NAPTALAM

>  <PubChem CID>
8594

>  <Formula>
C18H13NO3

>  <Molecular Weight>
291.306000

>  <IUPAC Name>
2-(naphthalen-1-ylcarbamoyl)benzoic acid

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O

>  <InChI Std. ID>
InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)

>  <InChI Key>
JXTHEWSKYLZVJC-UHFFFAOYSA-N

