Molecule

ID:26924

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂ClNO₃
Molecular Mass
229.66018
Exact Mass
229.05057093
Charge
0
InChI
InChI=1S/C10H12ClNO3/c1-14-7-3-4-8(9(5-7)15-2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
SPDLCISEBHCEFN-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1OC)OC
Isomeric Smiles
N(c1c(cc(cc1)OC)OC)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.28631
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4329574
LogD (pH = 7.4)
1.432952
Log P
1.4329574
Molar Refractivity
58.6006
Polarizability
22.134283
Polar Surface Area
47.56
Rotatable Bonds
4
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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