Molecule

ID:80996

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₃NO₂
Molecular Mass
266.50844
Exact Mass
264.94641148
Charge
0
InChI
InChI=1S/C9H6Cl3NO2/c10-7(8(11)12)9(15)13-5-2-1-3-6(14)4-5/h1-4,14H,(H,13,15)
InChIKey
FNLRNQYTGCYXCM-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)NC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(c1cc(ccc1)O)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
9.226356
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.8068836
LogD (pH = 7.4)
2.800574
Log P
2.8069646
Molar Refractivity
72.7405
Polarizability
23.134047
Polar Surface Area
49.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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