Molecule

ID:23903

General Information
Structure
Molecular Formula
C₉H₁₂ClN
Molecular Mass
169.65128
Exact Mass
169.06582707
Charge
0
InChI
InChI=1S/C9H11N.ClH/c10-9-4-2-1-3-8(9)7-5-6-7;/h1-4,7H,5-6,10H2;1H
InChIKey
OGHSMAPZPGAEHM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1C1CC1.Cl
Isomeric Smiles
C1(CC1)c1c(N)cccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9041256
LogD (pH = 7.4)
1.925326
Log P
1.9256032
Molar Refractivity
43.147
Polarizability
16.212322
Polar Surface Area
26.02
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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