Molecule

ID:48832

General Information
Structure
Molecular Formula
C₁₂H₂₅ClN₂O
Molecular Mass
248.7927
Exact Mass
248.16554111
Charge
0
InChI
InChI=1S/C12H24N2O.ClH/c1-9(2)11(13)12(15)14(3)10-7-5-4-6-8-10;/h9-11H,4-8,13H2,1-3H3;1H
InChIKey
PZZFEYJMEXLAKR-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N(C1CCCCC1)C)C(C)C.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)C)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.97085786
LogD (pH = 7.4)
0.6137865
Log P
1.748464
Molar Refractivity
62.1227
Polarizability
24.838331
Polar Surface Area
46.33
Rotatable Bonds
3
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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