Molecule

ID:27111

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c16-17-15(18)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,16H2,(H,17,18)
InChIKey
CHQPMMMDWSZFDN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CC(c1ccccc1)c1ccccc1
Isomeric Smiles
C(CC(=O)NN)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.096066
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.3704233
LogD (pH = 7.4)
2.3729346
Log P
2.3729675
Molar Refractivity
72.9165
Polarizability
28.101841
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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