Molecule

ID:45566

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄ClNO₄
Molecular Mass
223.65406
Exact Mass
223.06113561
Charge
0
InChI
InChI=1S/C8H13NO4.ClH/c1-5(10)13-6-3-7(9-4-6)8(11)12-2;/h6-7,9H,3-4H2,1-2H3;1H/t6-,7-;/m0./s1
InChIKey
PLIJFXSGOWNLGD-LEUCUCNGSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)OC(=O)C.Cl
Isomeric Smiles
N1[C@H](C(=O)OC)C[C@H](OC(=O)C)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.531108
LogD (pH = 7.4)
-0.69194436
Log P
-0.65781957
Molar Refractivity
43.3028
Polarizability
17.891209
Polar Surface Area
64.63
Rotatable Bonds
4
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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