Molecule
ID:66085
General Information
Molecular Formula
C₉H₆F₃N
Molecular Mass
185.1458496
Exact Mass
185.04523386
Charge
0
InChI
InChI=1S/C9H6F3N/c10-9(11,12)7-5-8-3-1-2-4-13(8)6-7/h1-6H
InChIKey
SBULMMIZURQLIJ-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc2n(c1)cccc2)(F)F
Isomeric Smiles
c1c(cn2ccccc12)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.4876082
LogD (pH = 7.4)
2.4876082
Log P
2.4876082
Molar Refractivity
44.1144
Polarizability
15.905561
Polar Surface Area
4.41
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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