Chemical ID: 7039283

c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3)Cl
Chemical ID:
7039283
Name [?]:
[4-[3-(4-chlorophenyl)prop-2-enoyl]phenyl] benzoate
SMILES [?]:
c1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H15ClO3/c23-19-11-6-16(7-12-19)8-15-21(24)17-9-13-20(14-10-17)26-22(25)18-4-2-1-3-5-18/h1-15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,21,25,19,12,14,22,24,11,15,18,20,13,4,23,10,16,7,26,17,8,9/E:(2,3)(4,5)(6,7)(9,10)(11,12)(13,14)/rA:26nCCCCCCCOOCCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClO3
All Atoms:41
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.4179
Area:610.519
Solvation:-2.84503
Coulombic:-32.6099
Bond Count [?]
All:28
Single:16
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:362.805
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.97
LogP (Chemaxon):5.76

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