Molecule

ID:15544

General Information
Structure
Molecular Formula
C₉H₁₃ClN₂
Molecular Mass
184.66592
Exact Mass
184.07672611
Charge
0
InChI
InChI=1S/C9H12N2.ClH/c10-11-9-5-4-7-2-1-3-8(7)6-9;/h4-6,11H,1-3,10H2;1H
InChIKey
QDTUDBCUGJLIFO-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc2c(c1)CCC2.Cl
Isomeric Smiles
c1cc(cc2c1CCC2)NN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1170666
LogD (pH = 7.4)
2.3682141
Log P
2.3725739
Molar Refractivity
48.6459
Polarizability
17.542814
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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