Molecule

ID:41912

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂O₃
Molecular Mass
230.64824
Exact Mass
230.0458199
Charge
0
InChI
InChI=1S/C9H11ClN2O3/c1-3-15-8(14)4-12-9(10)7(5-13)6(2)11-12/h5H,3-4H2,1-2H3
InChIKey
NNCHLZCPHSGERF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1nc(c(c1Cl)C=O)C
Isomeric Smiles
n1(c(c(c(n1)C)C=O)Cl)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.5446487
LogD (pH = 7.4)
0.54471815
Log P
0.54471904
Molar Refractivity
66.5451
Polarizability
20.999353
Polar Surface Area
61.19
Rotatable Bonds
5
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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