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Chemical ID: 4543694
Chemical ID:
4543694
Name [?]:
1-cyclohexyl-1-phenyl-3-(p-tolylsulfonyloxy)propan-1-ol
SMILES [?]:
Cc1ccc(cc1)S(=O)(=O)OCCC(c2ccccc2)(C3CCCCC3)O
InChi [?]:
InChI=1/C22H28O4S/c1-18-12-14-21(15-13-18)27(24,25)26-17-16-22(23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2,4-5,8-9,12-15,20,23H,3,6-7,10-11,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,24,17,19,23,25,16,20,22,26,3,7,4,6,13,12,2,15,21,5,14,27,9,10,11,8/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(24,25)/CRV:27.6/rA:27cCCCCCCCSOOOCCCCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;d8;s8;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s14;s21;s22;s23;s24;s21s25;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2668 |
Area: | 564.246 |
Solvation: | -2.83939 |
Coulombic: | -29.2951 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 388.521 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.1 |
LogP (Chemaxon): | 5.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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