Molecule

ID:59014

General Information
Structure
Molecular Formula
C₁₄H₁₄N₂O₃
Molecular Mass
258.27256
Exact Mass
258.10044232
Charge
0
InChI
InChI=1S/C14H14N2O3/c17-13(14(18)16-5-7-19-8-6-16)11-9-15-12-4-2-1-3-10(11)12/h1-4,9,15H,5-8H2
InChIKey
LMNYZFUEOJRQSR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)c1c[nH]c2c1cccc2)N1CCOCC1
Isomeric Smiles
c1ccc2[nH]cc(c2c1)C(=O)C(=O)N1CCOCC1
Calculated Properties
JChem
Acid pKa
12.30488
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0111585
LogD (pH = 7.4)
1.0111533
Log P
1.0111586
Molar Refractivity
70.0323
Polarizability
27.806517
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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