Molecule

ID:69490

General Information
Structure
Molecular Formula
C₄H₁₀ClNO₃
Molecular Mass
155.5801
Exact Mass
155.03492087
Charge
0
InChI
InChI=1S/C4H9NO3.ClH/c1-5-3(2-6)4(7)8;/h3,5-6H,2H2,1H3,(H,7,8);1H
InChIKey
ZLTMGTWVKIIMRC-UHFFFAOYSA-N
Canonic Smiles
CNC(C(=O)O)CO.Cl
Isomeric Smiles
C(=O)(C(NC)CO)O.Cl
Calculated Properties
JChem
Acid pKa
1.7578363
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.6643322
LogD (pH = 7.4)
-3.6657603
Log P
-3.6643286
Molar Refractivity
26.8156
Polarizability
10.868561
Polar Surface Area
69.56
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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