Molecule

ID:116986

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClFN₂O
Molecular Mass
212.6081432
Exact Mass
212.01526872
Charge
0
InChI
InChI=1S/C9H6ClFN2O/c10-5-8-12-13-9(14-8)6-1-3-7(11)4-2-6/h1-4H,5H2
InChIKey
QHQRMDRNRFBTPI-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(o1)c1ccc(cc1)F
Isomeric Smiles
n1c(oc(n1)CCl)c1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7825663
LogD (pH = 7.4)
1.7825663
Log P
1.7825663
Molar Refractivity
61.4955
Polarizability
19.140635
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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