Molecule

ID:15618

General Information
Structure
MolImage
Molecular Formula
C₉H₆FNO
Molecular Mass
163.1484432
Exact Mass
163.04334204
Charge
0
InChI
InChI=1S/C9H6FNO/c10-7-1-2-9-6(3-7)4-8(5-12)11-9/h1-5,11H
InChIKey
SVDHOCZCQXVPOU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c([nH]1)ccc(c2)F
Isomeric Smiles
c1c(cc2c(c1)[nH]c(c2)C=O)F
Calculated Properties
JChem
Acid pKa
12.837707
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8472131
LogD (pH = 7.4)
1.8472118
Log P
1.8472133
Molar Refractivity
43.8224
Polarizability
17.079468
Polar Surface Area
32.86
Rotatable Bonds
1
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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