Molecule

ID:60357

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₃N₂O
Molecular Mass
255.52886
Exact Mass
253.97804596
Charge
0
InChI
InChI=1S/C8H9Cl3N2O/c1-3-13-5(2)6(4-12-13)7(14)8(9,10)11/h4H,3H2,1-2H3
InChIKey
DYPYKUUVVBJGSZ-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc(c1C)C(=O)C(Cl)(Cl)Cl
Isomeric Smiles
n1(c(c(cn1)C(=O)C(Cl)(Cl)Cl)C)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2674596
LogD (pH = 7.4)
2.2675104
Log P
2.2675111
Molar Refractivity
70.7771
Polarizability
21.973864
Polar Surface Area
34.89
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