Chemical ID: 4732754

Cc1ccc(c(c1)C)C(=O)C=Cc2c(cccc2Cl)Cl
Chemical ID:
4732754
Name [?]:
3-(2,6-dichlorophenyl)-1-(2,4-dimethylphenyl)-prop-2-en-1-one
SMILES [?]:
Cc1ccc(c(c1)C)C(=O)C=Cc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C17H14Cl2O/c1-11-6-7-13(12(2)10-11)17(20)9-8-14-15(18)4-3-5-16(14)19/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,15,17,3,4,12,11,7,2,6,5,13,14,18,9,20,19,10/E:(4,5)(15,16)(18,19)/rA:20nCCCCCCCCCOCCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14Cl2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1823
Area:474.703
Solvation:-1.68525
Coulombic:-12.2493
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:305.198
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.97
LogP (Chemaxon):5.98

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