Chemical ID: 5665067

c1cc(c(c(c1)Cl)Cl)C=CC(=O)c2ccc(cc2)Cl
Chemical ID:
5665067
Name [?]:
1-(4-chlorophenyl)-3-(2,3-dichlorophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)C=CC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H9Cl3O/c16-12-7-4-10(5-8-12)14(19)9-6-11-2-1-3-13(17)15(11)18/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,18,9,15,17,10,13,3,16,5,11,4,19,7,8,12/E:(4,5)(7,8)/rA:19nCCCCCCClClCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;w9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9Cl3O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.2354
Area:484.058
Solvation:-1.866
Coulombic:-12.5051
Bond Count [?]
All:20
Single:12
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:311.589
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.71
LogP (Chemaxon):5.57

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Descriptor Annotations

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