Molecule

ID:21556

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂O
Molecular Mass
240.30034
Exact Mass
240.12626314
Charge
0
InChI
InChI=1S/C15H16N2O/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16/h2-11H,16H2,1H3,(H,17,18)
InChIKey
KBRHMOXICLSVTL-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NC(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(N)cccc1)NC(c1ccccc1)C
Calculated Properties
JChem
Acid pKa
15.483669
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.008698
LogD (pH = 7.4)
3.009672
Log P
3.0096843
Molar Refractivity
73.7649
Polarizability
27.585472
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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