Molecule

ID:51160

General Information
Structure
Molecular Formula
C₈H₉ClN₂O₂
Molecular Mass
200.62226
Exact Mass
200.03525522
Charge
0
InChI
InChI=1S/C8H9ClN2O2/c1-11(13-2)8(12)6-3-4-7(9)10-5-6/h3-5H,1-2H3
InChIKey
IJUKASNMWCZHHA-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccc(nc1)Cl)C
Isomeric Smiles
C(=O)(c1cnc(cc1)Cl)N(OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0288901
LogD (pH = 7.4)
1.0288906
Log P
1.0288906
Molar Refractivity
49.9892
Polarizability
18.665207
Polar Surface Area
42.43
Rotatable Bonds
2
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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