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Chemical ID: 4535531
Chemical ID:
4535531
Name [?]:
None
SMILES [?]:
Cc1cc(=O)c2c3c4ccccc4ccc3sc2o1
InChi [?]:
InChI=1/C16H10O2S/c1-9-8-12(17)15-14-11-5-3-2-4-10(11)6-7-13(14)19-16(15)18-9/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,14,15,3,2,13,8,4,16,7,6,18,5,19,17/rA:19nCCCCOCCCCCCCCCCCSCO/rB:s1;d2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s16;d6s17;s2s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.32954 |
Area: | 415.22 |
Solvation: | -2.05097 |
Coulombic: | -17.618 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 266.315 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.87 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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