Molecule

ID:59995

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O₃
Molecular Mass
272.29914
Exact Mass
272.11609238
Charge
0
InChI
InChI=1S/C15H16N2O3/c1-9(18)17-8-13-11(7-14(17)15(19)20-2)10-5-3-4-6-12(10)16-13/h3-6,14,16H,7-8H2,1-2H3/t14-/m1/s1
InChIKey
FXQZLCIYBPSROR-CQSZACIVSA-N
Canonic Smiles
COC(=O)[C@H]1Cc2c(CN1C(=O)C)[nH]c1c2cccc1
Isomeric Smiles
N1([C@H](Cc2c([nH]c3c2cccc3)C1)C(=O)OC)C(=O)C
Calculated Properties
JChem
Acid pKa
15.358104
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0360222
LogD (pH = 7.4)
1.0360222
Log P
1.0360222
Molar Refractivity
73.7445
Polarizability
29.65684
Polar Surface Area
62.4
Rotatable Bonds
2
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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