Molecule

ID:36206

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₃
Molecular Mass
283.32178
Exact Mass
283.12084341
Charge
0
InChI
InChI=1S/C17H17NO3/c1-20-16-5-3-4-13(17(16)21-2)8-11-15(19)12-6-9-14(18)10-7-12/h3-11H,18H2,1-2H3/b11-8+
InChIKey
YAOQTDDKAQMLOZ-DHZHZOJOSA-N
Canonic Smiles
COc1cccc(c1OC)/C=C/C(=O)c1ccc(cc1)N
Isomeric Smiles
C(=C\c1c(c(OC)ccc1)OC)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
16.738314
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7447033
LogD (pH = 7.4)
2.7460399
Log P
2.7460568
Molar Refractivity
84.5038
Polarizability
31.507898
Polar Surface Area
61.55
Rotatable Bonds
5
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