Molecule

ID:23337

General Information
Structure
Molecular Formula
C₁₆H₁₈N₂O
Molecular Mass
254.32692
Exact Mass
254.14191321
Charge
0
InChI
InChI=1S/C16H18N2O/c1-10-7-11(2)15(12(3)8-10)18-16(19)13-5-4-6-14(17)9-13/h4-9H,17H2,1-3H3,(H,18,19)
InChIKey
BTRQRLMTYMPXMF-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)C(=O)Nc1c(C)cc(cc1C)C
Isomeric Smiles
N(c1c(cc(cc1C)C)C)C(=O)c1cc(N)ccc1
Calculated Properties
JChem
Acid pKa
12.5787735
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7745504
LogD (pH = 7.4)
3.7764418
Log P
3.7764688
Molar Refractivity
81.4155
Polarizability
29.382273
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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