Molecule

ID:28840

General Information
Structure
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-5-21-18-12-10-17(11-13-18)20-14-15-6-8-16(9-7-15)19(2,3)4/h6-13,20H,5,14H2,1-4H3
InChIKey
JNCBWECPCAOJOT-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)NCc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(c1ccc(CNc2ccc(cc2)OCC)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8079834
LogD (pH = 7.4)
4.913169
Log P
4.91469
Molar Refractivity
90.7421
Polarizability
34.602375
Polar Surface Area
21.26
Rotatable Bonds
6
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