Molecule

ID:45260

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂
Molecular Mass
196.67662
Exact Mass
196.07672611
Charge
0
InChI
InChI=1S/C10H12N2.ClH/c11-7-4-8-12-9-10-5-2-1-3-6-10;/h1-3,5-6,12H,4,8-9H2;1H
InChIKey
OTBMQOAEVMQIEW-UHFFFAOYSA-N
Canonic Smiles
N#CCCNCc1ccccc1.Cl
Isomeric Smiles
N#CCCNCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.57202554
LogD (pH = 7.4)
1.008777
Log P
1.3045396
Molar Refractivity
49.0693
Polarizability
19.08079
Polar Surface Area
35.82
Rotatable Bonds
4
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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