Molecule

ID:69240

General Information
Structure
MolImage
Molecular Formula
C₅H₉ClN₂
Molecular Mass
132.59136
Exact Mass
132.04542598
Charge
0
InChI
InChI=1S/C5H8N2.ClH/c6-4-5-2-1-3-7-5;/h1-3,7H,4,6H2;1H
InChIKey
ZPPHSWKXEZBRFA-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc[nH]1.Cl
Isomeric Smiles
C(N)c1[nH]ccc1.Cl
Calculated Properties
JChem
Acid pKa
17.227814
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-2.8194287
LogD (pH = 7.4)
-1.5448098
Log P
0.09889949
Molar Refractivity
29.1677
Polarizability
11.407717
Polar Surface Area
41.81
Rotatable Bonds
1
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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