Molecule

ID:30114

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂
Molecular Mass
116.5489
Exact Mass
116.01412585
Charge
0
InChI
InChI=1S/C4H5ClN2/c1-7-3-6-2-4(7)5/h2-3H,1H3
InChIKey
NYDGOZPYEABERA-UHFFFAOYSA-N
Canonic Smiles
Cn1cncc1Cl
Isomeric Smiles
n1(c(cnc1)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.15977389
LogD (pH = 7.4)
0.3922356
Log P
0.3975072
Molar Refractivity
28.7154
Polarizability
10.85243
Polar Surface Area
17.82
Rotatable Bonds
0
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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