Chemical ID: 7040093

c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccccc3OC(=O)c4ccc(cc4)Cl
Chemical ID:
7040093
Name [?]:
[2-[3-oxo-3-(4-phenylphenyl)-prop-1-enyl]phenyl] 4-chlorobenzoate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccccc3OC(=O)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C28H19ClO3/c29-25-17-14-24(15-18-25)28(31)32-27-9-5-4-8-23(27)16-19-26(30)22-12-10-21(11-13-22)20-6-2-1-3-7-20/h1-19H
InChi Info:
AuxInfo=1/0/N:1,2,6,19,20,3,5,18,21,8,12,9,11,27,31,16,28,30,15,4,7,10,17,26,29,13,22,24,32,14,25,23/E:(2,3)(6,7)(10,11)(12,13)(14,15)(17,18)/rA:32nCCCCCCCCCCCCCOCCCCCCCCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H19ClO3
All Atoms:51
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.6106
Area:702.705
Solvation:-2.957
Coulombic:-34.7133
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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