Molecule

ID:70407

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄ClN
Molecular Mass
171.66716
Exact Mass
171.08147713
Charge
0
InChI
InChI=1S/C9H14N.ClH/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
InChIKey
MQAYPFVXSPHGJM-UHFFFAOYSA-M
Canonic Smiles
C[N+](c1ccccc1)(C)C.[Cl-]
Isomeric Smiles
c1(ccccc1)[N+](C)(C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.96705
LogD (pH = 7.4)
-1.96705
Log P
-1.96705
Molar Refractivity
55.6793
Polarizability
17.334887
Polar Surface Area
0.0
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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