Molecule

ID:79255

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂O₃
Molecular Mass
228.63236
Exact Mass
228.03016984
Charge
0
InChI
InChI=1S/C9H9ClN2O3/c1-15-7(13)5-12-9(14)6-3-2-4-11-8(6)10/h2-4H,5H2,1H3,(H,12,14)
InChIKey
RWAPSJAMNBBMRU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CNC(=O)c1cccnc1Cl
Isomeric Smiles
N(C(=O)c1c(nccc1)Cl)CC(=O)OC
Calculated Properties
JChem
Acid pKa
12.534216
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.27798763
LogD (pH = 7.4)
0.27798614
Log P
0.27798897
Molar Refractivity
54.596
Polarizability
20.65038
Polar Surface Area
68.29
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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