Chemical ID: 5781458

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
Chemical ID:
5781458
Name [?]:
[4-[3-(2,4-dichlorophenyl)prop-2-enoyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C23H16Cl2O3/c1-15-2-4-18(5-3-15)23(27)28-20-11-7-17(8-12-20)22(26)13-9-16-6-10-19(24)14-21(16)25/h2-14H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,22,13,15,20,23,12,16,19,25,2,21,14,5,24,11,26,17,8,28,27,18,9,10/E:(2,3)(4,5)(7,8)(11,12)/rA:28nCCCCCCCCOOCCCCCCCOCCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;w19;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16Cl2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.3182
Area:643.016
Solvation:-2.75718
Coulombic:-32.2464
Bond Count [?]
All:30
Single:18
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:411.277
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:7.03
LogP (Chemaxon):6.75

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Descriptor Annotations

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