Molecule

ID:13845

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₃
Molecular Mass
288.3416
Exact Mass
288.14739251
Charge
0
InChI
InChI=1S/C16H20N2O3/c1-16(2,3)15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)
InChIKey
AGOITVRYEADGHQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C)(C)C
Isomeric Smiles
c12c(CC(NC(=O)C(C)(C)C)C(=O)O)c[nH]c1cccc2
Calculated Properties
JChem
Acid pKa
4.2617116
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.5342904
LogD (pH = 7.4)
-0.19577712
Log P
2.79476
Molar Refractivity
79.349
Polarizability
31.975943
Polar Surface Area
82.19
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation