Molecule

ID:61265

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO₃
Molecular Mass
203.19406
Exact Mass
203.05824315
Charge
0
InChI
InChI=1S/C11H9NO3/c1-15-9-4-2-3-8(7-9)12-10(13)5-6-11(12)14/h2-7H,1H3
InChIKey
UNCUTNPWBZKJHD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)N1C(=O)C=CC1=O
Isomeric Smiles
N1(c2cc(OC)ccc2)C(=O)C=CC1=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0880595
LogD (pH = 7.4)
1.0880603
Log P
1.0880604
Molar Refractivity
54.4889
Polarizability
20.524565
Polar Surface Area
46.61
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