Chemical ID: 4727952

Cc1cc(ccc1Cl)C(=O)C=Cc2c(cccc2Cl)F
Chemical ID:
4727952
Name [?]:
3-(2-chloro-6-fluoro-phenyl)-1-(4-chloro-3-methyl-phenyl)-prop-2-en-1-one
SMILES [?]:
Cc1cc(ccc1Cl)C(=O)C=Cc2c(cccc2Cl)F
InChi [?]:
InChI=1/C16H11Cl2FO/c1-10-9-11(5-7-13(10)17)16(20)8-6-12-14(18)3-2-4-15(12)19/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,5,12,6,11,3,2,4,13,7,18,14,9,8,19,20,10/rA:20nCCCCCCCClCOCCCCCCCCClF/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11Cl2FO
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.35028
Area:476.15
Solvation:-2.55346
Coulombic:-15.4991
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:309.162
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.48
LogP (Chemaxon):5.66

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