Molecule

ID:30729

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClFNO₂
Molecular Mass
295.7365032
Exact Mass
295.07753463
Charge
0
InChI
InChI=1S/C15H14FNO2.ClH/c16-13-4-1-11(2-5-13)8-17-9-12-3-6-14-15(7-12)19-10-18-14;/h1-7,17H,8-10H2;1H
InChIKey
YSSRJWSXWVMZJW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CNCc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12c(OCO1)ccc(c2)CNCc1ccc(F)cc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.12155649
LogD (pH = 7.4)
1.7396629
Log P
3.0220032
Molar Refractivity
69.9019
Polarizability
27.242708
Polar Surface Area
30.49
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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