Molecule

ID:70767

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO
Molecular Mass
163.64516
Exact Mass
163.07639175
Charge
0
InChI
InChI=1S/C7H13NO.ClH/c1-6(9)7-2-4-8-5-3-7;/h7-8H,2-5H2,1H3;1H
InChIKey
BWWUETLSKAKGGM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C1CCNCC1.Cl
Isomeric Smiles
C(=O)(C)C1CCNCC1.Cl
Calculated Properties
JChem
Acid pKa
18.93084
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.0122483
LogD (pH = 7.4)
-2.3582633
Log P
0.2098577
Molar Refractivity
36.6264
Polarizability
14.49175
Polar Surface Area
29.1
Rotatable Bonds
1
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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