Molecule

ID:14547

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅N₃O₃
Molecular Mass
297.3086
Exact Mass
297.11134136
Charge
0
InChI
InChI=1S/C16H15N3O3/c1-3-22-12-6-4-11(5-7-12)13-8-10(2)19-15(17-13)9-14(18-19)16(20)21/h4-9H,3H2,1-2H3,(H,20,21)
InChIKey
LRWXFSDZTUFHKX-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)c1cc(C)n2c(n1)cc(n2)C(=O)O
Isomeric Smiles
n12c(nc(cc2C)c2ccc(cc2)OCC)cc(n1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.1338735
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.7886277
LogD (pH = 7.4)
-0.32825473
Log P
3.1281796
Molar Refractivity
91.7835
Polarizability
31.794266
Polar Surface Area
76.72
Rotatable Bonds
4
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