Molecule

ID:70431

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂
Molecular Mass
226.74566
Exact Mass
226.1236763
Charge
0
InChI
InChI=1S/C12H18N2.ClH/c13-12-7-4-8-14(10-12)9-11-5-2-1-3-6-11;/h1-3,5-6,12H,4,7-10,13H2;1H
InChIKey
NLKWAJAEIWXJJY-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)Cc1ccccc1.Cl
Isomeric Smiles
N1(CC(CCC1)N)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9673986
LogD (pH = 7.4)
-0.83185756
Log P
1.5832233
Molar Refractivity
59.7617
Polarizability
23.75333
Polar Surface Area
29.26
Rotatable Bonds
2
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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