Chemical ID: 7085276

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
Chemical ID:
7085276
Name [?]:
[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] 4-methoxybenzoate
SMILES [?]:
COc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H16Cl2O4/c1-28-19-9-5-17(6-10-19)23(27)29-20-11-3-16(4-12-20)22(26)13-7-15-2-8-18(24)14-21(15)25/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,23,14,16,5,7,21,24,4,8,13,17,20,26,22,15,6,25,3,12,27,18,9,29,28,19,10,2,11/E:(3,4)(5,6)(9,10)(11,12)/rA:29nCOCCCCCCCOOCCCCCCCOCCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s18;w20;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16Cl2O4
All Atoms:45
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5475
Area:674.634
Solvation:-4.31832
Coulombic:-38.4687
Bond Count [?]
All:31
Single:19
Double:12
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:427.276
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.51
LogP (Chemaxon):6.03

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Descriptor Annotations

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