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Chemical ID: 4118434
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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