Molecule

ID:14569

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClFNO₂
Molecular Mass
309.7630832
Exact Mass
309.09318469
Charge
0
InChI
InChI=1S/C16H16FNO2.ClH/c17-14-4-1-12(2-5-14)7-8-18-10-13-3-6-15-16(9-13)20-11-19-15;/h1-6,9,18H,7-8,10-11H2;1H
InChIKey
SIBQIXJHUOYAIQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)CCNCc1ccc2c(c1)OCO2.Cl
Isomeric Smiles
c12c(ccc(c1)CNCCc1ccc(cc1)F)OCO2.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1289934
LogD (pH = 7.4)
1.1745982
Log P
3.3106644
Molar Refractivity
74.6569
Polarizability
29.00801
Polar Surface Area
30.49
Rotatable Bonds
5
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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