Molecule

ID:69489

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₃
Molecular Mass
155.5801
Exact Mass
155.03492087
Charge
0
InChI
InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H/t3-;/m1./s1
InChIKey
NDBQJIBNNUJNHA-AENDTGMFSA-N
Canonic Smiles
COC(=O)[C@@H](CO)N.Cl
Isomeric Smiles
C(=O)([C@H](N)CO)OC.Cl
Calculated Properties
JChem
Acid pKa
14.880805
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.8088803
LogD (pH = 7.4)
-1.5804076
Log P
-1.4797273
Molar Refractivity
26.8101
Polarizability
11.100558
Polar Surface Area
72.55
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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