Molecule

ID:43232

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N₃O
Molecular Mass
187.19796
Exact Mass
187.07456192
Charge
0
InChI
InChI=1S/C10H9N3O/c14-8-10-7-13(12-11-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey
ALDKNJUWVSEOOT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nnn(c1)Cc1ccccc1
Isomeric Smiles
n1nc(cn1Cc1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1317484
LogD (pH = 7.4)
2.1317487
Log P
2.1317487
Molar Refractivity
64.1298
Polarizability
19.52189
Polar Surface Area
47.78
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