Molecule

ID:33177

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-13-7-10(8-14)11(12-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
WJSFPCDQTDLOPK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccccc1)C
Isomeric Smiles
c1(c(nn(c1)C)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1466548
LogD (pH = 7.4)
2.1466835
Log P
2.146684
Molar Refractivity
66.3096
Polarizability
21.7704
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