Molecule

ID:18455

General Information
Structure
MolImage
Molecular Formula
C₅H₅ClN₂
Molecular Mass
128.5596
Exact Mass
128.01412585
Charge
0
InChI
InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
InChIKey
BHAKRVSCGILCEW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccnc(n1)Cl
Isomeric Smiles
c1(nc(ccn1)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0896552
LogD (pH = 7.4)
1.089656
Log P
1.089656
Molar Refractivity
32.8124
Polarizability
12.327346
Polar Surface Area
25.78
Rotatable Bonds
0
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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