Molecule

ID:22799

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-13-9-10-14(20)11-16(13)21-18(22)12-23-17-8-6-5-7-15(17)19(2,3)4/h5-11H,12,20H2,1-4H3,(H,21,22)
InChIKey
XCTCVIJQHTXOCL-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(N)ccc1C)COc1ccccc1C(C)(C)C
Isomeric Smiles
c1(NC(=O)COc2c(C(C)(C)C)cccc2)cc(N)ccc1C
Calculated Properties
JChem
Acid pKa
12.586758
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.9342022
LogD (pH = 7.4)
3.9571085
Log P
3.9574115
Molar Refractivity
95.2906
Polarizability
35.6762
Polar Surface Area
64.35
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