Molecule

ID:23240

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClFN₂O₂
Molecular Mass
308.7352632
Exact Mass
308.0727836
Charge
0
InChI
InChI=1S/C15H14ClFN2O2/c1-9-6-10(16)2-5-14(9)21-8-15(20)19-13-7-11(18)3-4-12(13)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKey
PBMAFDOVJQYRRW-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1F)COc1ccc(cc1C)Cl
Isomeric Smiles
c1(NC(=O)COc2c(cc(cc2)Cl)C)cc(N)ccc1F
Calculated Properties
JChem
Acid pKa
11.161041
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.15545
LogD (pH = 7.4)
3.158984
Log P
3.1591017
Molar Refractivity
81.6459
Polarizability
29.965174
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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