Chemical ID: 5759573

c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
Chemical ID:
5759573
Name [?]:
3-(2,4-dichlorophenyl)-1-(4-phenylphenyl)-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C(=O)C=Cc3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C21H14Cl2O/c22-19-12-10-17(20(23)14-19)11-13-21(24)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,9,11,18,16,19,15,21,4,7,17,10,20,22,13,24,23,14/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCCCCCCCCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14Cl2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.8484
Area:560.574
Solvation:-2.16591
Coulombic:-13.7329
Bond Count [?]
All:26
Single:15
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:353.241
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:7.03
LogP (Chemaxon):6.73

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Descriptor Annotations

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