Molecule

ID:70327

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀ClNO₃
Molecular Mass
155.5801
Exact Mass
155.03492087
Charge
0
InChI
InChI=1S/C4H9NO3.ClH/c1-8-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1
InChIKey
NLDVBPFPOCWZCE-DFWYDOINSA-N
Canonic Smiles
COC[C@@H](C(=O)O)N.Cl
Isomeric Smiles
C(=O)([C@H](COC)N)O.Cl
Calculated Properties
JChem
Acid pKa
2.2052925
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.2437303
LogD (pH = 7.4)
-3.258556
Log P
-3.244027
Molar Refractivity
26.7922
Polarizability
10.934595
Polar Surface Area
72.55
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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