Molecule

ID:96771

General Information
Structure
MolImage
Molecular Formula
C₉H₅ClF₂N₂O
Molecular Mass
230.5986064
Exact Mass
230.00584691
Charge
0
InChI
InChI=1S/C9H5ClF2N2O/c10-9(11,12)8(15)6-5-13-7-3-1-2-4-14(6)7/h1-5H
InChIKey
RYLULWDVNWTHMK-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(F)F)c1cnc2n1cccc2
Isomeric Smiles
n12c(cnc1cccc2)C(=O)C(F)(F)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5325038
LogD (pH = 7.4)
1.5756291
Log P
1.5762134
Molar Refractivity
52.0617
Polarizability
18.576956
Polar Surface Area
34.37
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