Molecule

ID:103920

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂ClN
Molecular Mass
169.65128
Exact Mass
169.06582707
Charge
0
InChI
InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H
InChIKey
ZPEFMSTTZXJOTM-UHFFFAOYSA-N
Canonic Smiles
NC1CC1c1ccccc1.Cl
Isomeric Smiles
Cl.NC1CC1c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6602782
LogD (pH = 7.4)
-0.82371813
Log P
1.3388824
Molar Refractivity
41.6966
Polarizability
16.617031
Polar Surface Area
26.02
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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