Molecule

ID:22628

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O
Molecular Mass
226.27376
Exact Mass
226.11061308
Charge
0
InChI
InChI=1S/C14H14N2O/c15-12-7-4-8-13(10-12)16-14(17)9-11-5-2-1-3-6-11/h1-8,10H,9,15H2,(H,16,17)
InChIKey
DAXUGYVWKQUGTB-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cccc(c1)N)Cc1ccccc1
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.906992
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2035534
LogD (pH = 7.4)
2.216206
Log P
2.21637
Molar Refractivity
70.3433
Polarizability
25.952118
Polar Surface Area
55.12
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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