Molecule

ID:118410

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆N₂O
Molecular Mass
252.31104
Exact Mass
252.12626314
Charge
0
InChI
InChI=1S/C16H16N2O/c17-14-7-8-15-13(10-14)6-9-16(19)18(15)11-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9,11,17H2
InChIKey
NUQQPKSNJVUJOQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1
Isomeric Smiles
N1(c2c(cc(cc2)N)CCC1=O)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2669723
LogD (pH = 7.4)
2.2761142
Log P
2.276232
Molar Refractivity
76.6148
Polarizability
28.900751
Polar Surface Area
46.33
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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