Molecule

ID:73864

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₃
Molecular Mass
242.65894
Exact Mass
242.0458199
Charge
0
InChI
InChI=1S/C10H11ClN2O3/c11-3-4-12-10(14)13-7-1-2-8-9(5-7)16-6-15-8/h1-2,5H,3-4,6H2,(H2,12,13,14)
InChIKey
BTFJOSDYSXVDDD-UHFFFAOYSA-N
Canonic Smiles
ClCCNC(=O)Nc1ccc2c(c1)OCO2
Isomeric Smiles
N(c1cc2c(cc1)OCO2)C(=O)NCCCl
Calculated Properties
JChem
Acid pKa
13.646003
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.38881
LogD (pH = 7.4)
1.3888098
Log P
1.38881
Molar Refractivity
59.6046
Polarizability
22.58292
Polar Surface Area
59.59
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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