Molecule

ID:95341

General Information
Structure
MolImage
Molecular Formula
C₁₆H₈Cl₃F₂NO₂
Molecular Mass
390.5960264
Exact Mass
388.95886798
Charge
0
InChI
InChI=1S/C16H8Cl3F2NO2/c17-13(15(18)19)16(23)24-22-14(9-1-5-11(20)6-2-9)10-3-7-12(21)8-4-10/h1-8H
InChIKey
IOZBBTFFYLLBHN-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=C(Cl)Cl)Cl)O/N=C(/c1ccc(cc1)F)\c1ccc(cc1)F
Isomeric Smiles
N(=C(\c1ccc(cc1)F)/c1ccc(cc1)F)/OC(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.0032787
LogD (pH = 7.4)
6.0032825
Log P
6.0032825
Molar Refractivity
99.8781
Polarizability
33.647026
Polar Surface Area
38.66
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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