Molecule

ID:76336

General Information
Structure
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c14-8-9-3-1-2-4-10(9)15-11-7-12-5-6-13-11/h1-8H
InChIKey
JEJIMCVKXOULMD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1cnccn1
Isomeric Smiles
O(c1ccccc1C=O)c1cnccn1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3451464
LogD (pH = 7.4)
1.345148
Log P
1.345148
Molar Refractivity
54.8825
Polarizability
20.766827
Polar Surface Area
52.08
Rotatable Bonds
3
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