Chemical ID: 4672634

c1ccc(cc1)C(=O)C=Cc2ccc(cc2)Cl
Chemical ID:
4672634
Name [?]:
3-(4-chlorophenyl)-1-phenyl-prop-2-en-1-one
SMILES [?]:
c1ccc(cc1)C(=O)C=Cc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H11ClO/c16-14-9-6-12(7-10-14)8-11-15(17)13-4-2-1-3-5-13/h1-11H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,16,10,13,15,9,11,4,14,7,17,8/E:(2,3)(4,5)(6,7)(9,10)/rA:17nCCCCCCCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;w9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11ClO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.70321
Area:425.737
Solvation:-1.94021
Coulombic:-12.0543
Bond Count [?]
All:18
Single:10
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:242.7
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.47
LogP (Chemaxon):4.53

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