Molecule

ID:55913

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O₂
Molecular Mass
260.3315
Exact Mass
260.15247789
Charge
0
InChI
InChI=1S/C15H20N2O2/c16-17-14(18)12-1-2-13(19-12)15-6-9-3-10(7-15)5-11(4-9)8-15/h1-2,9-11H,3-8,16H2,(H,17,18)
InChIKey
WQBKUAYJWOXZTE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(c3oc(C(=O)NN)cc3)CC3CC(C2)CC(C1)C3
Calculated Properties
JChem
Acid pKa
13.73597
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8557774
LogD (pH = 7.4)
1.8562933
Log P
1.8563
Molar Refractivity
72.597
Polarizability
27.621943
Polar Surface Area
68.26
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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