Molecule

ID:69602

General Information
Structure
Molecular Formula
C₆H₁₂ClN
Molecular Mass
133.61918
Exact Mass
133.06582707
Charge
0
InChI
InChI=1S/C6H11N.ClH/c1-7-5-3-2-4-6-7;/h2-3H,4-6H2,1H3;1H
InChIKey
FQEGQFSNKIAVIV-UHFFFAOYSA-N
Canonic Smiles
CN1CCC=CC1.Cl
Isomeric Smiles
C1CC=CCN1C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.4977002
LogD (pH = 7.4)
-1.0826244
Log P
0.8345214
Molar Refractivity
33.0927
Polarizability
12.366833
Polar Surface Area
3.24
Rotatable Bonds
0
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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