Molecule

ID:23324

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c16-14-8-4-7-13(11-14)15(18)17-10-9-12-5-2-1-3-6-12/h1-8,11H,9-10,16H2,(H,17,18)
InChIKey
RUCCIRQTLQFVOM-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)NCCc1ccccc1
Isomeric Smiles
C(=O)(c1cc(N)ccc1)NCCc1ccccc1
Calculated Properties
JChem
Acid pKa
15.1453705
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.2293615
LogD (pH = 7.4)
2.2317402
Log P
2.2317705
Molar Refractivity
74.1011
Polarizability
27.586971
Polar Surface Area
55.12
Rotatable Bonds
4
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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