Molecule

ID:27319

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₃
Molecular Mass
288.3416
Exact Mass
288.14739251
Charge
0
InChI
InChI=1S/C16H20N2O3/c1-10(2)13-6-4-11(3)8-15(13)20-9-12-5-7-14(21-12)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKey
QVTDSYMAVTWWGX-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(o1)COc1cc(C)ccc1C(C)C
Isomeric Smiles
c1(C(=O)NN)oc(cc1)COc1c(ccc(c1)C)C(C)C
Calculated Properties
JChem
Acid pKa
11.896413
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.832409
LogD (pH = 7.4)
2.8328722
Log P
2.8328905
Molar Refractivity
82.1967
Polarizability
30.783167
Polar Surface Area
77.49
Rotatable Bonds
5
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
Molecule Details
References
Bioactivity
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