Molecule

ID:111882

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₃O
Molecular Mass
287.56896
Exact Mass
285.97189795
Charge
0
InChI
InChI=1S/C13H9Cl3O/c14-13(15,16)11-8-4-5-9-12(11)17-10-6-2-1-3-7-10/h1-9H
InChIKey
CAISHQGIMXQWPF-UHFFFAOYSA-N
Canonic Smiles
ClC(c1ccccc1Oc1ccccc1)(Cl)Cl
Isomeric Smiles
ClC(Cl)(Cl)c1ccccc1Oc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9714413
LogD (pH = 7.4)
4.9714413
Log P
4.9714413
Molar Refractivity
72.7769
Polarizability
28.011322
Polar Surface Area
9.23
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
References
Bioactivity
Navigation