Molecule

ID:27161

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₃
Molecular Mass
282.29396
Exact Mass
282.10044232
Charge
0
InChI
InChI=1S/C16H14N2O3/c17-18-16(19)15-8-7-14(21-15)10-20-13-6-5-11-3-1-2-4-12(11)9-13/h1-9H,10,17H2,(H,18,19)
InChIKey
KAGLMPJIJKYNOE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)COc1ccc2c(c1)cccc2
Isomeric Smiles
c1(C(=O)NN)oc(cc1)COc1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
11.896413
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.063455
LogD (pH = 7.4)
2.0639184
Log P
2.0639367
Molar Refractivity
79.4149
Polarizability
31.063206
Polar Surface Area
77.49
Rotatable Bonds
4
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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