Chemical ID: 7039894

COC(=O)c1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(cc3)Cl
Chemical ID:
7039894
Name [?]:
methyl 4-[3-[4-(4-chlorobenzoyl)oxyphenyl]-3-oxo-prop-1-enyl]benzoate
SMILES [?]:
COC(=O)c1ccc(cc1)C=CC(=O)c2ccc(cc2)OC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H17ClO5/c1-29-23(27)18-5-2-16(3-6-18)4-15-22(26)17-9-13-21(14-10-17)30-24(28)19-7-11-20(25)12-8-19/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,9,11,6,10,25,29,16,20,26,28,17,19,12,8,15,5,24,27,18,13,3,22,30,14,4,23,2,21/E:(2,3)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCOCOCCCCCCCCCOCCCCCCOCOCCCCCCCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17ClO5
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.3415
Area:686.071
Solvation:-3.81023
Coulombic:-51.3107
Bond Count [?]
All:32
Single:19
Double:13
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:420.841
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.91
LogP (Chemaxon):5.31

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Descriptor Annotations

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