Molecule

ID:38108

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O
Molecular Mass
144.559
Exact Mass
144.00904047
Charge
0
InChI
InChI=1S/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3
InChIKey
XBJLKXOOHLLTPG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(nn1)Cl
Isomeric Smiles
COc1ccc(nn1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0368115
LogD (pH = 7.4)
1.0368116
Log P
1.0368116
Molar Refractivity
36.4072
Polarizability
13.090381
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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