Molecule

ID:18342

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClFN₂
Molecular Mass
174.6032232
Exact Mass
174.03600417
Charge
0
InChI
InChI=1S/C7H8ClFN2/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3,11H,4,10H2
InChIKey
NKFCYZBTEJQTNX-UHFFFAOYSA-N
Canonic Smiles
NNCc1c(F)cccc1Cl
Isomeric Smiles
c1(c(F)cccc1Cl)CNN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.549029
LogD (pH = 7.4)
1.6595001
Log P
1.6611054
Molar Refractivity
54.5295
Polarizability
16.593586
Polar Surface Area
38.05
Rotatable Bonds
2
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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