Chemical ID: 4535531

Cc1cc(=O)c2c3c4ccccc4ccc3sc2o1
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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