Molecule

ID:21591

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-8(2)9-5-3-4-6-10(9)15-7-11(14)13-12/h3-6,8H,7,12H2,1-2H3,(H,13,14)
InChIKey
XGRQTKIZTSJXQS-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccccc1C(C)C
Isomeric Smiles
C(=O)(NN)COc1c(C(C)C)cccc1
Calculated Properties
JChem
Acid pKa
12.515463
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4337307
LogD (pH = 7.4)
1.4351277
Log P
1.4351487
Molar Refractivity
59.1029
Polarizability
22.769032
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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