Molecule
ID:13181
General Information
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-6-3-4-8-7(5-6)9(12)10(13-8)11(14)15-2/h3-5,13H,12H2,1-2H3
InChIKey
UMTRNZODNOATRF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1[nH]c2c(c1N)cc(cc2)C
Isomeric Smiles
c1cc2c(cc1C)c(c([nH]2)C(=O)OC)N
Calculated Properties
JChem
Acid pKa
14.4487915
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3299813
LogD (pH = 7.4)
2.3299813
Log P
2.3299813
Molar Refractivity
58.7889
Polarizability
22.863592
Polar Surface Area
68.11
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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