Molecule

ID:15698

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClFNO₂
Molecular Mass
287.7575632
Exact Mass
287.10883475
Charge
0
InChI
InChI=1S/C14H18FNO2.ClH/c1-10-7-11(4-5-13(10)15)8-16-6-2-3-12(9-16)14(17)18;/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18);1H
InChIKey
IRFURWFDDBHHPK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN(C1)Cc1ccc(c(c1)C)F.Cl
Isomeric Smiles
Cl.c1(c(cc(cc1)CN1CC(CCC1)C(=O)O)C)F
Calculated Properties
JChem
Acid pKa
3.5500093
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.0697411
LogD (pH = 7.4)
0.060284037
Log P
0.07211255
Molar Refractivity
68.0862
Polarizability
25.965044
Polar Surface Area
40.54
Rotatable Bonds
3
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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