Chemical ID: 6126557

c1ccc2c(c1)Nc3c(nns3)C(=O)N2
Chemical ID:
6126557
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3c(nns3)C(=O)N2
InChi [?]:
InChI=1/C9H6N4OS/c14-8-7-9(15-13-12-7)11-6-4-2-1-3-5(6)10-8/h1-4,11H,(H,10,14)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,4,5,9,13,8,15,7,10,11,14,12/rA:15nCCCCCCNCCNNSCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;s8s11;s9;d13;s4s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N4OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.07166
Area:357.764
Solvation:-1.87245
Coulombic:-36.144
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:218.236
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.34
LogP (Chemaxon):1.28

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Descriptor Annotations

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