Molecule

ID:31460

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClNO₃
Molecular Mass
195.64396
Exact Mass
195.06622099
Charge
0
InChI
InChI=1S/C7H13NO3.ClH/c1-2-11-7(10)6-3-5(9)4-8-6;/h5-6,8-9H,2-4H2,1H3;1H
InChIKey
HHXSZDXMSRXWJV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC(CN1)O.Cl
Isomeric Smiles
N1C(C(=O)OCC)CC(C1)O.Cl
Calculated Properties
JChem
Acid pKa
14.824049
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0320528
LogD (pH = 7.4)
-0.8339084
Log P
-0.742137
Molar Refractivity
38.8999
Polarizability
15.858429
Polar Surface Area
58.56
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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