Chemical ID: 4931290

COc1cc2c3c(c1)SCC(=O)n3nn2
Chemical ID:
4931290
Name [?]:
None
SMILES [?]:
COc1cc2c3c(c1)SCC(=O)n3nn2
InChi [?]:
InChI=1/C9H7N3O2S/c1-14-5-2-6-9-7(3-5)15-4-8(13)12(9)11-10-6/h2-3H,4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,10,3,5,7,11,6,15,14,13,12,2,9/rA:15nCOCCCCCCSCCONNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s6s11;s13;s5d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N3O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:5.34708
Area:358.738
Solvation:-3.62137
Coulombic:-19.4723
Bond Count [?]
All:17
Single:12
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:221.237
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.56
LogP (Chemaxon):0.85

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Descriptor Annotations

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