Molecule

ID:14945

General Information
Structure
Molecular Formula
C₁₃H₂₁ClN₂
Molecular Mass
240.77224
Exact Mass
240.13932636
Charge
0
InChI
InChI=1S/C13H20N2.ClH/c1-15(13-7-9-14-10-8-13)11-12-5-3-2-4-6-12;/h2-6,13-14H,7-11H2,1H3;1H
InChIKey
OEYPIIOXYXYLQG-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCNCC1)Cc1ccccc1.Cl
Isomeric Smiles
C1(N(Cc2ccccc2)C)CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0714836
LogD (pH = 7.4)
-1.8554102
Log P
1.5584008
Molar Refractivity
64.7571
Polarizability
25.600323
Polar Surface Area
15.27
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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