Molecule

ID:65593

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClNO₃
Molecular Mass
201.60702
Exact Mass
201.0192708
Charge
0
InChI
InChI=1S/C8H8ClNO3/c1-12-7-5(4-11)6(9)3-10-8(7)13-2/h3-4H,1-2H3
InChIKey
YDVRFQLEURGEFE-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ncc(c1C=O)Cl
Isomeric Smiles
c1(cnc(c(c1C=O)OC)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3512349
LogD (pH = 7.4)
1.3512354
Log P
1.3512354
Molar Refractivity
48.5298
Polarizability
18.381123
Polar Surface Area
48.42
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