Chemical ID: 7039228

c1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)c3ccccc3F
Chemical ID:
7039228
Name [?]:
[3-(3-oxo-3-phenyl-prop-1-enyl)phenyl] 2-fluorobenzoate
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2cccc(c2)OC(=O)c3ccccc3F
InChi [?]:
InChI=1/C22H15FO3/c23-20-12-5-4-11-19(20)22(25)26-18-10-6-7-16(15-18)13-14-21(24)17-8-2-1-3-9-17/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,13,12,3,5,14,21,24,10,9,16,11,4,15,20,25,7,18,26,8,19,17/E:(2,3)(8,9)/rA:26nCCCCCCCOCCCCCCCCOCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15FO3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3024
Area:576.132
Solvation:-4.10089
Coulombic:-34.8272
Bond Count [?]
All:28
Single:16
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:346.351
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.51
LogP (Chemaxon):5.38

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