Chemical ID: 6486211

c1cc(ccc1C=CC(=O)c2ccc(cc2)F)OC(=O)C3CCCCC3
Chemical ID:
6486211
Name [?]:
[4-[3-(4-fluorophenyl)-3-oxo-prop-1-enyl]phenyl] cyclohexanecarboxylate
SMILES [?]:
c1cc(ccc1C=CC(=O)c2ccc(cc2)F)OC(=O)C3CCCCC3
InChi [?]:
InChI=1/C22H21FO3/c23-19-11-9-17(10-12-19)21(24)15-8-16-6-13-20(14-7-16)26-22(25)18-4-2-1-3-5-18/h6-15,18H,1-5H2
InChi Info:
AuxInfo=1/0/N:24,23,25,22,26,1,5,7,12,16,13,15,2,4,8,6,11,21,14,3,9,19,17,10,20,18/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)/rA:26nCCCCCCCCCOCCCCCCFOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s3;s18;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21FO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.1648
Area:563.049
Solvation:-3.91141
Coulombic:-32.5752
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:352.399
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.71
LogP (Chemaxon):5.53

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Descriptor Annotations

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