Molecule

ID:124341

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃ClN₂
Molecular Mass
184.66592
Exact Mass
184.07672611
Charge
0
InChI
InChI=1S/C9H12N2.ClH/c1-2-6-10-9(3-1)7-11-8-4-5-8;/h1-3,6,8,11H,4-5,7H2;1H
InChIKey
QINBXJHYDMZXEJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(nc1)CNC1CC1.Cl
Isomeric Smiles
C1(CC1)NCc1ncccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7352366
LogD (pH = 7.4)
-0.007205689
Log P
0.86095864
Molar Refractivity
43.8381
Polarizability
17.604605
Polar Surface Area
24.92
Rotatable Bonds
3
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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