Molecule
ID:101831
General Information
Molecular Formula
C₁₄H₂₃ClN₂
Molecular Mass
254.79882
Exact Mass
254.15497643
Charge
0
InChI
InChI=1S/C14H22N2.ClH/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14;/h1,3-4,7-8,14-16H,2,5-6,9-12H2;1H
InChIKey
MUBPFBPQBVGKHJ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CNNCc1ccccc1.Cl
Isomeric Smiles
N(NCC1CCCCC1)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5375998
LogD (pH = 7.4)
3.2299566
Log P
3.2523181
Molar Refractivity
89.5808
Polarizability
27.237122
Polar Surface Area
24.06
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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