Molecule

ID:113691

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)18-16(19)15-14(17)12-4-2-3-5-13(12)20-15/h2-9H,17H2,1H3,(H,18,19)
InChIKey
QFRZMQMTCMFJEN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)NC(=O)c1oc2c(c1N)cccc2
Isomeric Smiles
c1(c(c2c(o1)cccc2)N)C(=O)Nc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
11.295477
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.47875
LogD (pH = 7.4)
3.478698
Log P
3.4787505
Molar Refractivity
80.0517
Polarizability
30.237135
Polar Surface Area
68.26
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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