Molecule

ID:48985

General Information
Structure
Molecular Formula
C₁₅H₂₃ClN₂O
Molecular Mass
282.80892
Exact Mass
282.14989105
Charge
0
InChI
InChI=1S/C15H22N2O.ClH/c1-2-17(12-13-7-4-3-5-8-13)15(18)14-9-6-10-16-11-14;/h3-5,7-8,14,16H,2,6,9-12H2,1H3;1H
InChIKey
PYCFWISWXKSVQP-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCCNC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4281648
LogD (pH = 7.4)
-0.4097267
Log P
1.7578303
Molar Refractivity
73.8981
Polarizability
28.916986
Polar Surface Area
32.34
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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