Chemical ID: 4917312

c1ccc2c(c1)c(=O)n3c(s2)nc(=N)[nH]3
Chemical ID:
4917312
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c(s2)nc(=N)[nH]3
InChi [?]:
InChI=1/C9H6N4OS/c10-8-11-9-13(12-8)7(14)5-3-1-2-4-6(5)15-9/h1-4H,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,13,10,14,12,15,9,8,11/rA:15nCCCCCCCONCSNCNN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;d10;s12;w13;s9s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.30402
Area:360.952
Solvation:-1.71976
Coulombic:-42.8293
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:218.236
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.36
LogP (Chemaxon):1.89

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Descriptor Annotations

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