Molecule

ID:41997

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈N₂O
Molecular Mass
184.19402
Exact Mass
184.06366289
Charge
0
InChI
InChI=1S/C11H8N2O/c14-8-9-1-3-10(4-2-9)11-7-12-5-6-13-11/h1-8H
InChIKey
QEJFDPPZUXABRM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1nccnc1
Isomeric Smiles
n1c(c2ccc(C=O)cc2)cncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.283474
LogD (pH = 7.4)
1.283479
Log P
1.283479
Molar Refractivity
53.0924
Polarizability
21.4081
Polar Surface Area
42.85
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