Molecule

ID:96337

General Information
Structure
Molecular Formula
C₁₆H₁₀ClF₃O
Molecular Mass
310.6982096
Exact Mass
310.03722728
Charge
0
InChI
InChI=1S/C16H10ClF3O/c17-14-8-4-12(5-9-14)15(21)10-3-11-1-6-13(7-2-11)16(18,19)20/h1-10H
InChIKey
WISCZQPKOCVKER-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(F)(F)F
Isomeric Smiles
O=C(c1ccc(cc1)Cl)/C=C/c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.829794
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.3722186
LogD (pH = 7.4)
5.3722186
Log P
5.3722186
Molar Refractivity
77.6555
Polarizability
28.23541
Polar Surface Area
17.07
Rotatable Bonds
4
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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