Molecule

ID:75595

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H10N2O2.ClH/c1-2-14-10(13)8-3-5-12-6-4-11-9(12)7-8;/h3-7H,2H2,1H3;1H
InChIKey
TUOJCZGQKPRXPP-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccn2c(c1)ncc2.Cl
Isomeric Smiles
n12c(ncc1)cc(cc2)C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.508922
LogD (pH = 7.4)
1.0970308
Log P
1.1198343
Molar Refractivity
52.7103
Polarizability
19.565296
Polar Surface Area
43.6
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
No Data Available
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Molecule Details
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References
Bioactivity
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