Molecule

ID:87565

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉ClN₂
Molecular Mass
226.74566
Exact Mass
226.1236763
Charge
0
InChI
InChI=1S/C12H18N2.ClH/c13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;/h1-3,6-7,12H,4-5,8-10,13H2;1H
InChIKey
GWJSDZLXRREOIA-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)CN1CCCC1.Cl
Isomeric Smiles
N1(CC(c2ccccc2)N)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8959012
LogD (pH = 7.4)
-0.5445211
Log P
1.5832233
Molar Refractivity
59.7617
Polarizability
23.752699
Polar Surface Area
29.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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