Molecule

ID:48834

General Information
Structure
Molecular Formula
C₁₃H₂₁ClN₂O
Molecular Mass
256.77164
Exact Mass
256.13424098
Charge
0
InChI
InChI=1S/C13H20N2O.ClH/c1-10(2)12(14)13(16)15(3)9-11-7-5-4-6-8-11;/h4-8,10,12H,9,14H2,1-3H3;1H
InChIKey
OTNFRYBEZJMOOJ-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N(Cc1ccccc1)C)C(C)C.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)C)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0456358
LogD (pH = 7.4)
0.5390237
Log P
1.6736666
Molar Refractivity
65.7211
Polarizability
25.962353
Polar Surface Area
46.33
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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