Molecule

ID:54367

General Information
Structure
MolImage
Molecular Formula
C₈H₉ClN₂O₂
Molecular Mass
200.62226
Exact Mass
200.03525522
Charge
0
InChI
InChI=1S/C8H9ClN2O2/c1-11(13-2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
InChIKey
KGZJITSOJPZKSG-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1cccnc1Cl)OC
Isomeric Smiles
c1(C(=O)N(OC)C)c(nccc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0288897
LogD (pH = 7.4)
1.0288906
Log P
1.0288906
Molar Refractivity
49.9892
Polarizability
18.678152
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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