Molecule

ID:46086

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₃
Molecular Mass
283.32178
Exact Mass
283.12084341
Charge
0
InChI
InChI=1S/C17H17NO3/c19-17(20-12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)21-16-10-18-11-16/h1-9,16,18H,10-12H2
InChIKey
AAASNVACDOXBMX-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OC1CNC1)OCc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(OC2CNC2)cc1)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.23755996
LogD (pH = 7.4)
1.8987958
Log P
3.0673633
Molar Refractivity
79.5847
Polarizability
31.334152
Polar Surface Area
47.56
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