Chemical ID: 7039195

c1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)c3ccccc3
Chemical ID:
7039195
Name [?]:
[4-(3-oxo-3-phenyl-prop-1-enyl)phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccc(cc2)OC(=O)c3ccccc3
InChi [?]:
InChI=1/C22H16O3/c23-21(18-7-3-1-4-8-18)16-13-17-11-14-20(15-12-17)25-22(24)19-9-5-2-6-10-19/h1-16H
InChi Info:
AuxInfo=1/0/N:1,23,2,6,22,24,3,5,21,25,12,16,10,13,15,9,11,4,20,14,7,18,8,19,17/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:25nCCCCCCCOCCCCCCCCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16O3
All Atoms:41
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5063
Area:572.057
Solvation:-2.79517
Coulombic:-32.7433
Bond Count [?]
All:27
Single:15
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:328.361
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.35
LogP (Chemaxon):5.24

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