Chemical ID: 7658935

CC(=O)c1ccc2c(c1)SCc3ccccc3O2
Chemical ID:
7658935
Name [?]:
None
SMILES [?]:
CC(=O)c1ccc2c(c1)SCc3ccccc3O2
InChi [?]:
InChI=1/C15H12O2S/c1-10(16)11-6-7-14-15(8-11)18-9-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,5,6,9,11,2,4,12,17,7,8,3,18,10/rA:18nCCOCCCCCCSCCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s7s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12O2S
All Atoms:30
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:7.64328
Area:420.143
Solvation:-2.86028
Coulombic:-16.9873
Bond Count [?]
All:20
Single:13
Double:7
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.51
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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