Molecule

ID:70713

General Information
Structure
MolImage
Molecular Formula
C₇H₉ClN₂O₂
Molecular Mass
188.61156
Exact Mass
188.03525522
Charge
0
InChI
InChI=1S/C7H9ClN2O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3H2,1-2H3
InChIKey
NZXVQPKDTOICGR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c(c1)Cl)C
Isomeric Smiles
n1(nc(cc1Cl)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2662964
LogD (pH = 7.4)
1.2662965
Log P
1.2662965
Molar Refractivity
56.1692
Polarizability
17.197186
Polar Surface Area
44.12
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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