Molecule

ID:64904

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H12N2O2.ClH/c1-2-15-11(14)9-7-5-3-4-6-8(7)13-10(9)12;/h3-6,13H,2,12H2,1H3;1H
InChIKey
FASLNURJTFOWLH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)[nH]c2c1cccc2.Cl
Isomeric Smiles
c1ccc2[nH]c(c(c2c1)C(=O)OCC)N.Cl
Calculated Properties
JChem
Acid pKa
12.395888
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3426564
LogD (pH = 7.4)
2.342654
Log P
2.3426578
Molar Refractivity
57.8721
Polarizability
22.938633
Polar Surface Area
68.11
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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