Molecule

ID:96978

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClFN₂O
Molecular Mass
212.6081432
Exact Mass
212.01526872
Charge
0
InChI
InChI=1S/C9H6ClFN2O/c10-5-8-12-9(13-14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
LMZZSCWNPOUYES-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1ccc(cc1)F
Isomeric Smiles
o1nc(c2ccc(cc2)F)nc1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0811305
LogD (pH = 7.4)
3.0811305
Log P
3.0811305
Molar Refractivity
61.4955
Polarizability
19.138998
Polar Surface Area
38.92
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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