Molecule

ID:45262

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆ClN
Molecular Mass
137.65094
Exact Mass
137.0971272
Charge
0
InChI
InChI=1S/C6H15N.ClH/c1-4-6(3)7-5-2;/h6-7H,4-5H2,1-3H3;1H
InChIKey
PMIDEDMVPGAHQP-UHFFFAOYSA-N
Canonic Smiles
CCNC(CC)C.Cl
Isomeric Smiles
N(C(CC)C)CC.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.7778096
LogD (pH = 7.4)
-1.5258925
Log P
1.4598348
Molar Refractivity
33.1334
Polarizability
13.342089
Polar Surface Area
12.03
Rotatable Bonds
3
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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