Molecule

ID:67993

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O
Molecular Mass
144.559
Exact Mass
144.00904047
Charge
0
InChI
InChI=1S/C5H5ClN2O/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3
InChIKey
RSUBGBZOMBTDTI-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1)Cl
Isomeric Smiles
c1(ncc(cn1)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.80061454
LogD (pH = 7.4)
0.80061454
Log P
0.80061454
Molar Refractivity
34.6841
Polarizability
13.128704
Polar Surface Area
35.01
Rotatable Bonds
1
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