Molecule

ID:6604

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-14-6-7-4-11(13)15-10-5-8(12)2-3-9(7)10/h2-5H,6,12H2,1H3
InChIKey
QZZLLHOMMCKWIQ-UHFFFAOYSA-N
Canonic Smiles
COCc1cc(=O)oc2c1ccc(c2)N
Isomeric Smiles
c1(c2c(oc(=O)c1)cc(cc2)N)COC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6138244
LogD (pH = 7.4)
0.61615384
Log P
0.61618364
Molar Refractivity
57.0569
Polarizability
21.22223
Polar Surface Area
61.55
Rotatable Bonds
2
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