Molecule

ID:45454

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₂
Molecular Mass
208.25694
Exact Mass
208.12117776
Charge
0
InChI
InChI=1S/C11H16N2O2/c1-7(2)11(14)13-9-6-8(12)4-5-10(9)15-3/h4-7H,12H2,1-3H3,(H,13,14)
InChIKey
NBPZVRARPFVXMJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)C(C)C)N
Isomeric Smiles
N(C(=O)C(C)C)c1cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
12.325608
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.398682
LogD (pH = 7.4)
1.4669319
Log P
1.4678811
Molar Refractivity
61.286
Polarizability
22.550644
Polar Surface Area
64.35
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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