Chemical ID: 4920061

c1ccc2c(c1)c3c(c(=O)s2)C=CCO3
Chemical ID:
4920061
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c(c(=O)s2)C=CCO3
InChi [?]:
InChI=1/C12H8O2S/c13-12-9-5-3-7-14-11(9)8-4-1-2-6-10(8)15-12/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,13,6,12,3,14,5,8,4,7,9,10,15,11/rA:15nCCCCCCCCCOSCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s13;s7s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8O2S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.97342
Area:360.435
Solvation:-2.03746
Coulombic:-19.171
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:216.257
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.53
LogP (Chemaxon):2.57

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Descriptor Annotations

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