Molecule

ID:62155

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Mass
258.27256
Exact Mass
258.10044232
Charge
0
InChI
InChI=1S/C14H14N2O3/c1-19-14(18)7-13(17)12-8-15-16(10-12)9-11-5-3-2-4-6-11/h2-6,8,10H,7,9H2,1H3
InChIKey
LPDSLKLTWRQYRB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)c1cnn(c1)Cc1ccccc1
Isomeric Smiles
c1(cn(nc1)Cc1ccccc1)C(=O)CC(=O)OC
Calculated Properties
JChem
Acid pKa
10.297575
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7213258
LogD (pH = 7.4)
1.7207997
Log P
1.721349
Molar Refractivity
81.09
Polarizability
26.6958
Polar Surface Area
61.19
Rotatable Bonds
6
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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