Molecule

ID:75340

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO
Molecular Mass
163.64516
Exact Mass
163.07639175
Charge
0
InChI
InChI=1S/C7H13NO.ClH/c1-2-8-5-3-4-7(9)6-8;/h2-6H2,1H3;1H
InChIKey
JLBJGYHSFYAUDJ-UHFFFAOYSA-N
Canonic Smiles
CCN1CCCC(=O)C1.Cl
Isomeric Smiles
N1(CCCC(=O)C1)CC.Cl
Calculated Properties
JChem
Acid pKa
18.648378
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.44181553
LogD (pH = 7.4)
0.5321259
Log P
0.5815892
Molar Refractivity
37.2677
Polarizability
14.49175
Polar Surface Area
20.31
Rotatable Bonds
1
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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