Molecule

ID:27206

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀N₂O₂
Molecular Mass
236.3101
Exact Mass
236.15247789
Charge
0
InChI
InChI=1S/C13H20N2O2/c1-9(12(16)15-14)17-11-7-5-10(6-8-11)13(2,3)4/h5-9H,14H2,1-4H3,(H,15,16)
InChIKey
BZNCKHGNOQBBRO-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Oc1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
C(=O)(C(Oc1ccc(C(C)(C)C)cc1)C)NN
Calculated Properties
JChem
Acid pKa
12.568931
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.3025625
LogD (pH = 7.4)
2.3039398
Log P
2.30396
Molar Refractivity
68.0719
Polarizability
26.44832
Polar Surface Area
64.35
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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