Molecule

ID:124184

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₃
Molecular Mass
248.27774
Exact Mass
248.11609238
Charge
0
InChI
InChI=1S/C13H16N2O3/c1-8(2)15-11(16)6-10(13(17)18)12(15)9-4-3-5-14-7-9/h3-5,7-8,10,12H,6H2,1-2H3,(H,17,18)
InChIKey
AWUYFGAFMDHVRA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CC(=O)N(C1c1cccnc1)C(C)C
Isomeric Smiles
C1(C(N(C(=O)C1)C(C)C)c1cnccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9400327
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0715618
LogD (pH = 7.4)
-2.706536
Log P
-0.48478115
Molar Refractivity
64.5338
Polarizability
25.187462
Polar Surface Area
70.5
Rotatable Bonds
3
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