Chemical ID: 4759006

c1cc2c(nc1)Nc3c(c(nc(n3)N)O)S2
Chemical ID:
4759006
Name [?]:
None
SMILES [?]:
c1cc2c(nc1)Nc3c(c(nc(n3)N)O)S2
InChi [?]:
InChI=1/C9H7N5OS/c10-9-13-7-5(8(15)14-9)16-4-2-1-3-11-6(4)12-7/h1-3H,(H4,10,11,12,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,9,4,8,10,12,14,5,7,13,11,15,16/rA:16nCCCCNCNCCCNCNNOS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;s10;s3s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N5OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.95288
Area:373.383
Solvation:-2.38169
Coulombic:-61.5093
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:233.251
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:1.93
LogP (Chemaxon):2.02

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Descriptor Annotations

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