Molecule

ID:15628

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO
Molecular Mass
177.1750232
Exact Mass
177.0589921
Charge
0
InChI
InChI=1S/C10H8FNO/c1-12-9(6-13)5-7-4-8(11)2-3-10(7)12/h2-6H,1H3
InChIKey
VNPPQGQRPBIRPW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(n1C)ccc(c2)F
Isomeric Smiles
c1c(cc2c(c1)n(c(c2)C=O)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0708892
LogD (pH = 7.4)
2.0708892
Log P
2.0708892
Molar Refractivity
48.7191
Polarizability
18.839577
Polar Surface Area
22.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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