Molecule

ID:63003

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClFN₂O
Molecular Mass
272.7462232
Exact Mass
272.10916911
Charge
0
InChI
InChI=1S/C13H17FN2O.ClH/c1-9(16-13(17)11-7-15-8-11)6-10-2-4-12(14)5-3-10;/h2-5,9,11,15H,6-8H2,1H3,(H,16,17);1H
InChIKey
RTONTNVJJWYQOZ-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)F)NC(=O)C1CNC1.Cl
Isomeric Smiles
C(=O)(C1CNC1)NC(Cc1ccc(F)cc1)C.Cl
Calculated Properties
JChem
Acid pKa
14.870723
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8630171
LogD (pH = 7.4)
-0.68436396
Log P
1.2920545
Molar Refractivity
64.287
Polarizability
24.884537
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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