Chemical ID: 4118434

c1ccc2c(c1)n3cc(nc3s2)C(=O)O
Chemical ID:
4118434
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3cc(nc3s2)C(=O)O
InChi [?]:
InChI=1/C10H6N2O2S/c13-9(14)6-5-12-7-3-1-2-4-8(7)15-10(12)11-6/h1-5H,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,8,9,5,4,13,11,10,7,14,15,12/E:(13,14)/rA:15nCCCCCCNCCNCSCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s4s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.39486
Area:372.628
Solvation:-1.92084
Coulombic:-41.2681
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:218.233
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.95
LogP (Chemaxon):2.68

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