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Chemical ID: 4117894
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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