Molecule

ID:22702

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-10-5-3-4-6-13(10)15(18)17-14-9-12(16)8-7-11(14)2/h3-9H,16H2,1-2H3,(H,17,18)
InChIKey
GDOHNMFYNHCQIP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)NC(=O)c1ccccc1C)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)c1c(C)cccc1
Calculated Properties
JChem
Acid pKa
13.110121
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2335494
LogD (pH = 7.4)
3.2626624
Log P
3.2630475
Molar Refractivity
76.3743
Polarizability
27.61625
Polar Surface Area
55.12
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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