Molecule

ID:8990

General Information
Structure
MolImage
Molecular Formula
C₇H₆F₂O
Molecular Mass
144.1187464
Exact Mass
144.03867125
Charge
0
InChI
InChI=1S/C7H6F2O/c1-4-2-3-5(10)7(9)6(4)8/h2-3,10H,1H3
InChIKey
NVYIUITYVMVHJM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1F)F)O
Isomeric Smiles
c1c(c(c(c(c1)O)F)F)C
Calculated Properties
JChem
Acid pKa
8.088441
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4673953
LogD (pH = 7.4)
2.3882205
Log P
2.4685059
Molar Refractivity
33.5129
Polarizability
12.169883
Polar Surface Area
20.23
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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