Molecule
ID:124124
General Information
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-9-10(2)15(11(3)13(9)8-16)12-5-4-6-14-7-12/h4-8H,1-3H3
InChIKey
HYNPUCOFSJZMQY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c(c1C)C)c1cccnc1
Isomeric Smiles
n1(c(c(c(c1C)C)C=O)C)c1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2282164
LogD (pH = 7.4)
1.4183743
Log P
1.4216
Molar Refractivity
75.5781
Polarizability
24.611334
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...