Molecule

ID:45320

General Information
Structure
Molecular Formula
C₇H₁₈ClN
Molecular Mass
151.67752
Exact Mass
151.11277726
Charge
0
InChI
InChI=1S/C7H17N.ClH/c1-6(2)5-7(3)8-4;/h6-8H,5H2,1-4H3;1H
InChIKey
NQCHZRLKMRRDRG-UHFFFAOYSA-N
Canonic Smiles
CNC(CC(C)C)C.Cl
Isomeric Smiles
N(C(CC(C)C)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4016284
LogD (pH = 7.4)
-1.0928432
Log P
1.8346146
Molar Refractivity
37.5344
Polarizability
15.189125
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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