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Chemical ID: 7658935
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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