Molecule

ID:89269

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₃
Molecular Mass
229.66018
Exact Mass
229.05057093
Charge
0
InChI
InChI=1S/C10H12ClNO3/c1-3-14-8-5-9(11)12-6-7(8)10(13)15-4-2/h5-6H,3-4H2,1-2H3
InChIKey
NLJBDVLNDXIFIZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(cc1OCC)Cl
Isomeric Smiles
O=C(c1cnc(cc1OCC)Cl)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.139202
LogD (pH = 7.4)
2.1392167
Log P
2.139217
Molar Refractivity
57.7529
Polarizability
22.065903
Polar Surface Area
48.42
Rotatable Bonds
5
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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