Molecule

ID:72297

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-18-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15/h2-9H,15H2,1H3,(H,16,17)
InChIKey
VESKUPCSIUQXPZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(cccc1)N)Nc1ccccc1OC
Calculated Properties
JChem
Acid pKa
11.489257
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7282634
LogD (pH = 7.4)
2.7284963
Log P
2.7285335
Molar Refractivity
72.7551
Polarizability
26.59435
Polar Surface Area
64.35
Rotatable Bonds
3
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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