Molecule

ID:72334

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO₃
Molecular Mass
243.68676
Exact Mass
243.06622099
Charge
0
InChI
InChI=1S/C11H14ClNO3/c1-7(12)11(14)13-9-6-8(15-2)4-5-10(9)16-3/h4-7H,1-3H3,(H,13,14)
InChIKey
RMRDVDAALOHFAM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)C(Cl)C)OC
Isomeric Smiles
N(C(=O)C(Cl)C)c1cc(ccc1OC)OC
Calculated Properties
JChem
Acid pKa
11.687139
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0017214
LogD (pH = 7.4)
2.0017004
Log P
2.0017216
Molar Refractivity
63.0945
Polarizability
23.962492
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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