Molecule

ID:14921

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₂
Molecular Mass
179.64456
Exact Mass
179.07130637
Charge
0
InChI
InChI=1S/C7H13NO2.ClH/c1-6(7(9)10)8-4-2-3-5-8;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKey
NIODDMURQJWDSI-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)O)N1CCCC1.Cl
Isomeric Smiles
N1(C(C(=O)O)C)CCCC1.Cl
Calculated Properties
JChem
Acid pKa
1.8530291
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0880206
LogD (pH = 7.4)
-2.0881612
Log P
-2.087971
Molar Refractivity
38.1076
Polarizability
14.9515705
Polar Surface Area
40.54
Rotatable Bonds
2
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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