Molecule

ID:89947

General Information
Structure
Molecular Formula
C₅H₁₃ClN₂
Molecular Mass
136.62312
Exact Mass
136.07672611
Charge
0
InChI
InChI=1S/C5H12N2.ClH/c6-7-5-3-1-2-4-5;/h5,7H,1-4,6H2;1H
InChIKey
GONHTJWVIZVBOU-UHFFFAOYSA-N
Canonic Smiles
NNC1CCCC1.Cl
Isomeric Smiles
N(C1CCCC1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.026684213
LogD (pH = 7.4)
0.5299042
Log P
0.5445876
Molar Refractivity
41.3089
Polarizability
12.067715
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
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Molecule Details
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References
Bioactivity
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