Molecule

ID:43480

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H10N2O2.ClH/c1-12-7-5-3-2-4-6(7)9(13)8(11)10(12)14;/h2-5,13H,11H2,1H3;1H
InChIKey
ARZOWPUFFDUEII-UHFFFAOYSA-N
Canonic Smiles
Nc1c(O)c2ccccc2n(c1=O)C.Cl
Isomeric Smiles
c1(c(=O)n(c2c(c1O)cccc2)C)N.Cl
Calculated Properties
JChem
Acid pKa
8.7578335
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.17658338
LogD (pH = 7.4)
-0.19496201
Log P
-0.17634375
Molar Refractivity
53.9123
Polarizability
19.745577
Polar Surface Area
66.56
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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