
 CHEMBL307364

 27 28  0  0  0  0  0  0  0  0999 V2000
    2.2716    0.9858    0.0186 C   0  0  0  0  0
    1.0599    1.6811   -0.0345 C   0  0  0  0  0
   -0.1228    0.9302   -0.0507 C   0  0  0  0  0
   -0.1353   -0.4663   -0.0137 C   0  0  0  0  0
    1.1003   -1.1448    0.0400 C   0  0  0  0  0
    2.2825   -0.4034    0.0548 C   0  0  0  0  0
    3.4571   -1.0984    0.1056 O   0  0  0  0  0
   -1.5056   -0.8833   -0.0417 C   0  0  0  0  0
   -2.2714    0.2671   -0.0977 C   0  0  0  0  0
   -1.4326    1.3462   -0.1017 N   0  0  0  0  0
   -2.0120   -2.2406   -0.0162 C   0  0  0  0  0
   -3.2897   -2.4456   -0.0538 N   0  0  0  0  0
   -3.5750   -3.8190   -0.0130 N   0  0  0  0  0
   -4.8450   -4.0506   -0.1081 C   0  0  0  0  0
   -5.8092   -3.1102   -0.2593 N   0  0  0  0  0
   -5.3793   -5.2913   -0.0680 N   0  0  0  0  0
    3.1982    1.5520    0.0312 H   0  0  0  0  0
    1.0424    2.7660   -0.0637 H   0  0  0  0  0
    1.1435   -2.2291    0.0693 H   0  0  0  0  0
    4.1924   -0.4642    0.1070 H   0  0  0  0  0
   -3.3447    0.3993   -0.1343 H   0  0  0  0  0
   -1.7264    2.3123   -0.1375 H   0  0  0  0  0
   -1.2835   -3.0682    0.0376 H   0  0  0  0  0
   -5.3524   -2.2046   -0.1521 H   0  0  0  0  0
   -6.5438   -3.2176    0.4280 H   0  0  0  0  0
   -4.6603   -5.9997   -0.1680 H   0  0  0  0  0
   -6.1145   -5.4084   -0.7544 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  2  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  7 20  1  0  0  0
  8  9  2  0  0  0
  8 11  1  0  0  0
  9 10  1  0  0  0
  9 21  1  0  0  0
 10 22  1  0  0  0
 11 12  2  0  0  0
 11 23  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 15 24  1  0  0  0
 15 25  1  0  0  0
 16 26  1  0  0  0
 16 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL307364

>  <PubChem CID>
135469307

>  <Formula>
C10H11N5O

>  <Molecular Weight>
217.232000

>  <IUPAC Name>
2-[(E)-(5-hydroxy-1H-indol-3-yl)methylideneamino]guanidine

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC2=C(C=C1O)C(=CN2)C=NN=C(N)N

>  <Isomeric SMILES>
C1=CC2=C(C=C1O)C(=CN2)/C=N/N=C(N)N

>  <InChI Std. ID>
InChI=1S/C10H11N5O/c11-10(12)15-14-5-6-4-13-9-2-1-7(16)3-8(6)9/h1-5,13,16H,(H4,11,12,15)/b14-5+

>  <InChI Key>
IHKIATLVODIVAL-LHHJGKSTSA-N

