Molecule

ID:48869

General Information
Structure
Molecular Formula
C₁₃H₂₁ClN₂O
Molecular Mass
256.77164
Exact Mass
256.13424098
Charge
0
InChI
InChI=1S/C13H20N2O.ClH/c1-4-15(12(16)13(2,3)14)10-11-8-6-5-7-9-11;/h5-9H,4,10,14H2,1-3H3;1H
InChIKey
IQXJUALMRAACCM-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(N)(C)C)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N(Cc1ccccc1)CC)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2046468
LogD (pH = 7.4)
0.32297674
Log P
1.5757451
Molar Refractivity
66.1874
Polarizability
25.96235
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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