Chemical ID: 4733858

c1ccc(cc1)C(=O)C=Cc2c(cccc2Cl)Cl
Chemical ID:
4733858
Name [?]:
3-(2,6-dichlorophenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C15H10Cl2O/c16-13-7-4-8-14(17)12(13)9-10-15(18)11-5-2-1-3-6-11/h1-10H
InChi Info:
AuxInfo=1/0/N:1,2,6,14,3,5,13,15,10,9,4,11,12,16,7,18,17,8/E:(2,3)(5,6)(7,8)(13,14)(16,17)/rA:18nCCCCCCCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s16;s12;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10Cl2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.20921
Area:439.756
Solvation:-1.7847
Coulombic:-12.619
Bond Count [?]
All:19
Single:11
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:277.145
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.09
LogP (Chemaxon):5.05

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue