Molecule

ID:92504

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
XFGHBJQGDDYIKS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(nn1C)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)cc(n1C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0666707
LogD (pH = 7.4)
2.066685
Log P
2.066685
Molar Refractivity
66.1871
Polarizability
21.77094
Polar Surface Area
34.89
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