Molecule

ID:82407

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₃N₂O
Molecular Mass
289.54508
Exact Mass
287.96239589
Charge
0
InChI
InChI=1S/C11H7Cl3N2O/c12-8-3-1-7(2-4-8)9(17)5-16-6-15-10(13)11(16)14/h1-4,6H,5H2
InChIKey
LROYROUOQBZPOQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)CC(=O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.983543
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0565734
LogD (pH = 7.4)
3.0579782
Log P
3.057996
Molar Refractivity
69.288
Polarizability
26.334291
Polar Surface Area
34.89
Rotatable Bonds
3
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