Molecule

ID:53065

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClN₂O₃
Molecular Mass
202.59508
Exact Mass
202.01451977
Charge
0
InChI
InChI=1S/C7H7ClN2O3/c1-10-5(6(8)11)3-4(9-10)7(12)13-2/h3H,1-2H3
InChIKey
YVLMOMAZTDZRMJ-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1C(=O)Cl)C(=O)OC
Isomeric Smiles
n1(nc(cc1C(=O)Cl)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.7013468
LogD (pH = 7.4)
0.7013468
Log P
0.7013468
Molar Refractivity
57.6069
Polarizability
17.310022
Polar Surface Area
61.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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