Molecule

ID:82246

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO₅
Molecular Mass
317.33646
Exact Mass
317.12632271
Charge
0
InChI
InChI=1S/C17H19NO5/c1-10-16(23-11(2)18-10)13(19)7-6-12-8-14(20-3)17(22-5)15(9-12)21-4/h6-9H,1-5H3
InChIKey
OYVMXPKCCHKFKS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(/C=C/C(=O)c2oc(nc2C)C)cc(c1OC)OC
Isomeric Smiles
n1c(oc(c1C)C(=O)/C=C/c1cc(c(c(c1)OC)OC)OC)C
Calculated Properties
JChem
Acid pKa
15.018692
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.5336378
LogD (pH = 7.4)
1.533639
Log P
1.533639
Molar Refractivity
85.8857
Polarizability
32.43995
Polar Surface Area
70.79
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