Molecule

ID:55396

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClFN₂O
Molecular Mass
286.7728032
Exact Mass
286.12481917
Charge
0
InChI
InChI=1S/C14H19FN2O.ClH/c15-13-3-1-12(2-4-13)10-17-14(18)9-11-5-7-16-8-6-11;/h1-4,11,16H,5-10H2,(H,17,18);1H
InChIKey
VEWMADOYXSQDSY-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1CCNCC1)NCc1ccc(cc1)F.Cl
Isomeric Smiles
C1CNCCC1CC(=O)NCc1ccc(cc1)F.Cl
Calculated Properties
JChem
Acid pKa
14.97631
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.868654
LogD (pH = 7.4)
-1.2030711
Log P
1.3527422
Molar Refractivity
69.1983
Polarizability
26.719822
Polar Surface Area
41.13
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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