Molecule

ID:83821

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇NO₂
Molecular Mass
303.35448
Exact Mass
303.12592879
Charge
0
InChI
InChI=1S/C20H17NO2/c22-19(13-12-17-9-6-14-21-17)18-10-4-5-11-20(18)23-15-16-7-2-1-3-8-16/h1-14,21H,15H2
InChIKey
XFRSTVFRIPUMGT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1OCc1ccccc1)/C=C/c1ccc[nH]1
Isomeric Smiles
[nH]1c(ccc1)/C=C/C(=O)c1ccccc1OCc1ccccc1
Calculated Properties
JChem
Acid pKa
16.58226
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.457012
LogD (pH = 7.4)
4.457012
Log P
4.457012
Molar Refractivity
92.5891
Polarizability
35.178326
Polar Surface Area
42.09
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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