Molecule

ID:48840

General Information
Structure
Molecular Formula
C₁₄H₂₃ClN₂O
Molecular Mass
270.79822
Exact Mass
270.14989105
Charge
0
InChI
InChI=1S/C14H22N2O.ClH/c1-4-16(14(17)13(15)11(2)3)10-12-8-6-5-7-9-12;/h5-9,11,13H,4,10,15H2,1-3H3;1H
InChIKey
ARDUONXIKOOVGM-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(C(C)C)N)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.68866557
LogD (pH = 7.4)
0.89612085
Log P
2.0304744
Molar Refractivity
70.4697
Polarizability
27.807623
Polar Surface Area
46.33
Rotatable Bonds
5
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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