Molecule

ID:31372

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂ClNO₃
Molecular Mass
193.62808
Exact Mass
193.05057093
Charge
0
InChI
InChI=1S/C7H11NO3.ClH/c9-6-1-3-8(4-2-6)5-7(10)11;/h1-5H2,(H,10,11);1H
InChIKey
ITZMBUUCNROABF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN1CCC(=O)CC1.Cl
Isomeric Smiles
N1(CC(=O)O)CCC(=O)CC1.Cl
Calculated Properties
JChem
Acid pKa
1.442489
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9789689
LogD (pH = 7.4)
-3.2086039
Log P
-2.9757965
Molar Refractivity
38.5481
Polarizability
15.082534
Polar Surface Area
57.61
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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