Molecule

ID:77027

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O₂
Molecular Mass
268.31044
Exact Mass
268.12117776
Charge
0
InChI
InChI=1S/C16H16N2O2/c1-11-16(19)18(10-12-6-3-2-4-7-12)14-9-5-8-13(17)15(14)20-11/h2-9,11H,10,17H2,1H3
InChIKey
ZIJLBWYVIDDJQJ-UHFFFAOYSA-N
Canonic Smiles
CC1Oc2c(N)cccc2N(C1=O)Cc1ccccc1
Isomeric Smiles
N1(c2cccc(c2OC(C1=O)C)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0718524
LogD (pH = 7.4)
2.0828493
Log P
2.0829914
Molar Refractivity
77.7479
Polarizability
29.569454
Polar Surface Area
55.56
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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