Molecule

ID:123778

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClN₂O₃
Molecular Mass
244.67482
Exact Mass
244.06146997
Charge
0
InChI
InChI=1S/C10H12N2O3.ClH/c1-15-10(14)7-2-4-8(5-3-7)12-9(13)6-11;/h2-5H,6,11H2,1H3,(H,12,13);1H
InChIKey
JEGPIZQIECCQQR-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)Nc1ccc(cc1)C(=O)OC.Cl
Isomeric Smiles
C(=O)(c1ccc(NC(=O)CN)cc1)OC.Cl
Calculated Properties
JChem
Acid pKa
12.83138
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0827503
LogD (pH = 7.4)
-0.38836488
Log P
0.2903033
Molar Refractivity
56.306
Polarizability
21.177763
Polar Surface Area
81.42
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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