Molecule

ID:136648

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄ClN
Molecular Mass
135.63506
Exact Mass
135.08147713
Charge
0
InChI
InChI=1S/C6H13N.ClH/c1-6(7)4-2-3-5-6;/h2-5,7H2,1H3;1H
InChIKey
HIACBHAMKCSYFB-UHFFFAOYSA-N
Canonic Smiles
CC1(N)CCCC1.Cl
Isomeric Smiles
CC1(CCCC1)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.020327
LogD (pH = 7.4)
-1.8343966
Log P
1.0098196
Molar Refractivity
30.9702
Polarizability
12.598926
Polar Surface Area
26.02
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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