Molecule

ID:70238

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂ClNO₃
Molecular Mass
169.60668
Exact Mass
169.05057093
Charge
0
InChI
InChI=1S/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H/t4-;/m1./s1
InChIKey
JZJQCLZQSHLSFB-PGMHMLKASA-N
Canonic Smiles
CCOC(=O)[C@@H](CO)N.Cl
Isomeric Smiles
C(=O)([C@@H](CO)N)OCC.Cl
Calculated Properties
JChem
Acid pKa
14.88079
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.4517636
LogD (pH = 7.4)
-1.2235314
Log P
-1.1229193
Molar Refractivity
31.5587
Polarizability
12.918445
Polar Surface Area
72.55
Rotatable Bonds
4
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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