Molecule

ID:55341

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₂
Molecular Mass
139.5807
Exact Mass
139.04000625
Charge
0
InChI
InChI=1S/C4H9NO2.ClH/c1-5-3-2-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H
InChIKey
NMVZBHCSFYRWFC-UHFFFAOYSA-N
Canonic Smiles
CNCCC(=O)O.Cl
Isomeric Smiles
C(=O)(CCNC)O.Cl
Calculated Properties
JChem
Acid pKa
3.946512
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9590614
LogD (pH = 7.4)
-2.9497988
Log P
-2.949666
Molar Refractivity
25.4774
Polarizability
10.177998
Polar Surface Area
49.33
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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