Molecule

ID:33125

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClFN₂O
Molecular Mass
202.6133232
Exact Mass
202.03091879
Charge
0
InChI
InChI=1S/C8H7FN2O.ClH/c9-5-1-2-7-6(3-5)11-8(4-10)12-7;/h1-3H,4,10H2;1H
InChIKey
HGLCVXSFTDLKPL-UHFFFAOYSA-N
Canonic Smiles
NCc1nc2c(o1)ccc(c2)F.Cl
Isomeric Smiles
n1c2c(oc1CN)ccc(c2)F.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1108196
LogD (pH = 7.4)
0.4125623
Log P
0.66150224
Molar Refractivity
40.7399
Polarizability
16.85005
Polar Surface Area
52.05
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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