Molecule

ID:16258

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₃
Molecular Mass
236.26704
Exact Mass
236.11609238
Charge
0
InChI
InChI=1S/C12H16N2O3/c1-12(2,3)11(16)14-9-7-8(5-6-13-9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)
InChIKey
VIINVAGIQKVNOV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccnc(c1)NC(=O)C(C)(C)C
Isomeric Smiles
c1cnc(cc1C(=O)OC)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.888557
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3903985
LogD (pH = 7.4)
2.3907368
Log P
2.3907547
Molar Refractivity
64.8053
Polarizability
24.287048
Polar Surface Area
68.29
Rotatable Bonds
4
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
No Data Available
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Molecule Details
References
Bioactivity
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