Molecule

ID:24613

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂ClN
Molecular Mass
133.61918
Exact Mass
133.06582707
Charge
0
InChI
InChI=1S/C6H11N.ClH/c1-2-6-3-5(1)4-7-6;/h5-7H,1-4H2;1H
InChIKey
YHUFGQLJZGRCCX-UHFFFAOYSA-N
Canonic Smiles
C1CC2CC1NC2.Cl
Isomeric Smiles
N1C2CC(C1)CC2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.6320963
LogD (pH = 7.4)
-2.5450666
Log P
0.6086947
Molar Refractivity
29.2456
Polarizability
11.859141
Polar Surface Area
12.03
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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