Molecule

ID:22986

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₂
Molecular Mass
242.27316
Exact Mass
242.1055277
Charge
0
InChI
InChI=1S/C14H14N2O2/c1-18-13-5-3-2-4-12(13)14(17)16-11-8-6-10(15)7-9-11/h2-9H,15H2,1H3,(H,16,17)
InChIKey
DWHPMVSHFXDMFN-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(c1c(OC)cccc1)Nc1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.252464
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.0707622
LogD (pH = 7.4)
2.078429
Log P
2.0785334
Molar Refractivity
72.7551
Polarizability
26.59296
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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