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Chemical ID: 6672624
Chemical ID:
6672624
Name [?]:
1-(2-cyclohexylvinylsulfonyl)-4-methyl-benzene
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)C=CC2CCCCC2
InChi [?]:
InChI=1/C15H20O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h7-12,14H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,18,3,7,4,6,12,11,2,13,5,9,10,8/E:(3,4)(5,6)(7,8)(9,10)(16,17)/CRV:18.6/rA:18nCCCCCCCSOOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;w11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20O2S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.80347 |
Area: | 421.512 |
Solvation: | -1.73434 |
Coulombic: | -6.56067 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.384 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.99 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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