Molecule

ID:37432

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂O
Molecular Mass
144.559
Exact Mass
144.00904047
Charge
0
InChI
InChI=1S/C5H5ClN2O/c1-8-4(5(6)9)2-3-7-8/h2-3H,1H3
InChIKey
JJMGMMBYVVRVHI-UHFFFAOYSA-N
Canonic Smiles
Cn1nccc1C(=O)Cl
Isomeric Smiles
n1(c(ccn1)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.51201206
LogD (pH = 7.4)
0.51201946
Log P
0.5120196
Molar Refractivity
45.9536
Polarizability
12.763048
Polar Surface Area
34.89
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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