Molecule

ID:58905

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₃
Molecular Mass
201.60702
Exact Mass
201.0192708
Charge
0
InChI
InChI=1S/C8H8ClNO3/c1-12-6-3-7(9)10-4-5(6)8(11)13-2/h3-4H,1-2H3
InChIKey
CRTSQMSTPZTUDW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cnc(cc1OC)Cl
Isomeric Smiles
c1(c(cc(nc1)Cl)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4255854
LogD (pH = 7.4)
1.4256008
Log P
1.4256009
Molar Refractivity
48.2557
Polarizability
18.42126
Polar Surface Area
48.42
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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