Molecule

ID:33889

General Information
Structure
Molecular Formula
C₁₂H₁₆ClFN₂O
Molecular Mass
258.7196432
Exact Mass
258.09351904
Charge
0
InChI
InChI=1S/C12H15FN2O.ClH/c13-10-3-1-9(2-4-10)12(16)15-7-5-11(14)6-8-15;/h1-4,11H,5-8,14H2;1H
InChIKey
LUJNKVBYOQCNKY-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)c1ccc(cc1)F.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)N)c1ccc(cc1)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.3927095
LogD (pH = 7.4)
-1.8237667
Log P
0.62511796
Molar Refractivity
60.528
Polarizability
22.83702
Polar Surface Area
46.33
Rotatable Bonds
1
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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