Molecule

ID:95267

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄ClFN₂O
Molecular Mass
304.7465632
Exact Mass
304.07786898
Charge
0
InChI
InChI=1S/C16H14ClFN2O/c1-16(10-17)19-14-5-3-2-4-13(14)15(21)20(16)12-8-6-11(18)7-9-12/h2-9,19H,10H2,1H3
InChIKey
AEYSGVWOMBZHCE-UHFFFAOYSA-N
Canonic Smiles
ClCC1(C)Nc2ccccc2C(=O)N1c1ccc(cc1)F
Isomeric Smiles
N1(c2ccc(cc2)F)C(=O)c2c(cccc2)NC1(CCl)C
Calculated Properties
JChem
Acid pKa
12.160739
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2615824
LogD (pH = 7.4)
4.261575
Log P
4.2615824
Molar Refractivity
82.2513
Polarizability
30.373638
Polar Surface Area
32.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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