Molecule

ID:30298

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₂
Molecular Mass
308.3743
Exact Mass
308.15247789
Charge
0
InChI
InChI=1S/C19H20N2O2/c1-13-3-6-15-10-16(19(22)21-18(15)9-13)12-20-11-14-4-7-17(23-2)8-5-14/h3-10,20H,11-12H2,1-2H3,(H,21,22)
InChIKey
USGCLAIEENMWIS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CNCc1cc2ccc(cc2[nH]c1=O)C
Isomeric Smiles
c1(c(=O)[nH]c2c(c1)ccc(c2)C)CNCc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
13.56127
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.44065797
LogD (pH = 7.4)
2.1556034
Log P
3.1178436
Molar Refractivity
93.9601
Polarizability
35.244637
Polar Surface Area
50.36
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