Chemical ID: 6427608

c1ccc2c(c1)n3c(=O)c(=O)[nH]nc3s2
Chemical ID:
6427608
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3c(=O)c(=O)[nH]nc3s2
InChi [?]:
InChI=1/C9H5N3O2S/c13-7-8(14)12-5-3-1-2-4-6(5)15-9(12)11-10-7/h1-4H,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,8,14,12,13,7,11,9,15/rA:15nCCCCCCNCOCONNCS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s10;s12;s7d13;s4s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5N3O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.08929
Area:353.432
Solvation:-1.74651
Coulombic:-41.3034
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:219.221
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.27
LogP (Chemaxon):1.38

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Descriptor Annotations

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