Molecule

ID:94493

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClFN₂
Molecular Mass
160.5766432
Exact Mass
160.0203541
Charge
0
InChI
InChI=1S/C6H6ClFN2/c7-4-2-1-3-5(8)6(4)10-9/h1-3,10H,9H2
InChIKey
CGMWMYHEKGCISN-UHFFFAOYSA-N
Canonic Smiles
NNc1c(F)cccc1Cl
Isomeric Smiles
Fc1cccc(c1NN)Cl
Calculated Properties
JChem
Acid pKa
14.218563
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.05216
LogD (pH = 7.4)
2.109695
Log P
2.111635
Molar Refractivity
40.7859
Polarizability
14.507214
Polar Surface Area
38.05
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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