Molecule

ID:55213

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀ClNO₂
Molecular Mass
151.5914
Exact Mass
151.04000625
Charge
0
InChI
InChI=1S/C5H9NO2.ClH/c6-3-5(1-2-5)4(7)8;/h1-3,6H2,(H,7,8);1H
InChIKey
SRTXENKRXZLJHQ-UHFFFAOYSA-N
Canonic Smiles
NCC1(CC1)C(=O)O.Cl
Isomeric Smiles
C1CC1(CN)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.9026465
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5467014
LogD (pH = 7.4)
-2.5382931
Log P
-2.5381868
Molar Refractivity
27.9761
Polarizability
11.294152
Polar Surface Area
63.32
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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