Molecule

ID:69043

General Information
Structure
Molecular Formula
C₅H₅ClN₂O
Molecular Mass
144.559
Exact Mass
144.00904047
Charge
0
InChI
InChI=1S/C5H5ClN2O/c1-9-5-7-3-2-4(6)8-5/h2-3H,1H3
InChIKey
XCAMEGPUILTZSU-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)ccn1
Isomeric Smiles
c1(nc(ccn1)Cl)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3950622
LogD (pH = 7.4)
1.395072
Log P
1.3950721
Molar Refractivity
34.9976
Polarizability
13.083498
Polar Surface Area
35.01
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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