Molecule

ID:95018

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂NO
Molecular Mass
145.1068064
Exact Mass
145.03392023
Charge
0
InChI
InChI=1S/C6H5F2NO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2
InChIKey
TVVXWABORGVGEC-UHFFFAOYSA-N
Canonic Smiles
Oc1cc(F)c(cc1N)F
Isomeric Smiles
Oc1c(cc(c(c1)F)F)N
Calculated Properties
JChem
Acid pKa
9.016993
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1251283
LogD (pH = 7.4)
1.115825
Log P
1.1261584
Molar Refractivity
33.1721
Polarizability
11.619563
Polar Surface Area
46.25
Rotatable Bonds
0
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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