Molecule

ID:23700

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO₂
Molecular Mass
211.6449
Exact Mass
211.04000625
Charge
0
InChI
InChI=1S/C10H10ClNO2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3/b6-4+
InChIKey
FHRIBCCVJCCJCZ-GQCTYLIASA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(nc1)Cl
Isomeric Smiles
c1c(ncc(c1)/C=C/C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4786627
LogD (pH = 7.4)
2.4786708
Log P
2.478671
Molar Refractivity
56.2868
Polarizability
21.183483
Polar Surface Area
39.19
Rotatable Bonds
4
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