Molecule

ID:12690

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₃
Molecular Mass
285.33766
Exact Mass
285.13649347
Charge
0
InChI
InChI=1S/C17H19NO3/c1-19-16-8-6-15(7-9-16)18-10-17-20-11-13-4-2-3-5-14(13)12-21-17/h2-9,17-18H,10-12H2,1H3
InChIKey
GMHNMDZBEDXUMQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NCC1OCc2c(CO1)cccc2
Isomeric Smiles
c12c(COC(OC1)CNc1ccc(cc1)OC)cccc2
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.9660256
LogD (pH = 7.4)
2.9955897
Log P
2.9959803
Molar Refractivity
82.7068
Polarizability
31.589067
Polar Surface Area
39.72
Rotatable Bonds
4
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