Molecule

ID:89948

General Information
Structure
Molecular Formula
C₆H₁₅ClN₂
Molecular Mass
150.6497
Exact Mass
150.09237617
Charge
0
InChI
InChI=1S/C6H14N2.ClH/c7-8-6-4-2-1-3-5-6;/h6,8H,1-5,7H2;1H
InChIKey
JZRHODNPRNTXKO-UHFFFAOYSA-N
Canonic Smiles
NNC1CCCCC1.Cl
Isomeric Smiles
N(C1CCCCC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.40056926
LogD (pH = 7.4)
0.97373694
Log P
0.98915625
Molar Refractivity
45.9099
Polarizability
13.9129
Polar Surface Area
38.05
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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