Chemical ID: 7040097

c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3cccc(c3)OC(=O)c4ccccc4Cl
Chemical ID:
7040097
Name [?]:
[3-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3cccc(c3)OC(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C28H19ClO3/c29-26-12-5-4-11-25(26)28(31)32-24-10-6-7-20(19-24)13-18-27(30)23-16-14-22(15-17-23)21-8-2-1-3-9-21/h1-19H
InChi Info:
AuxInfo=1/0/N:1,2,6,28,29,19,18,3,5,20,27,30,16,8,12,9,11,15,22,17,4,7,10,21,26,31,13,24,32,14,25,23/E:(2,3)(8,9)(14,15)(16,17)/rA:32nCCCCCCCCCCCCCOCCCCCCCCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H19ClO3
All Atoms:51
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.0942
Area:700.907
Solvation:-3.42848
Coulombic:-33.6394
Bond Count [?]
All:35
Single:20
Double:15
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:438.901
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.91
LogP (Chemaxon):7.44

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Descriptor Annotations

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