Chemical ID: 4117894

c1ccc(cc1)C(=O)CS(=O)(=O)c2ccccc2
Chemical ID:
4117894
Name [?]:
1-phenyl-2-phenylsulfonyl-ethanone
SMILES [?]:
c1ccc(cc1)C(=O)CS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C14H12O3S/c15-14(12-7-3-1-4-8-12)11-18(16,17)13-9-5-2-6-10-13/h1-10H,11H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,9,4,13,7,8,11,12,10/E:(3,4)(5,6)(7,8)(9,10)(16,17)/CRV:18.6/rA:18nCCCCCCCOCSOOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.44553
Area:438.942
Solvation:-4.52801
Coulombic:-11.5794
Bond Count [?]
All:19
Single:10
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.309
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.6
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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