Molecule

ID:29330

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-15(2)12-13-21-19-10-8-18(9-11-19)20-14-17-6-4-16(3)5-7-17/h4-11,15,20H,12-14H2,1-3H3
InChIKey
IQWLKCHVJRETAQ-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccc(cc1)NCc1ccc(cc1)C)C
Isomeric Smiles
N(c1ccc(cc1)OCCC(C)C)Cc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.030732
LogD (pH = 7.4)
5.1356483
Log P
5.137165
Molar Refractivity
90.791
Polarizability
34.604973
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
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