Molecule

ID:30623

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O₂
Molecular Mass
200.19342
Exact Mass
200.05857751
Charge
0
InChI
InChI=1S/C11H8N2O2/c14-8-9-2-4-10(5-3-9)15-11-12-6-1-7-13-11/h1-8H
InChIKey
CGSRJSIAGKSMHU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1ncccn1
Isomeric Smiles
c1(ncccn1)Oc1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9413098
LogD (pH = 7.4)
1.941311
Log P
1.941311
Molar Refractivity
55.4931
Polarizability
20.770288
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