Molecule

ID:96967

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O
Molecular Mass
190.1737832
Exact Mass
190.05424107
Charge
0
InChI
InChI=1S/C10H7FN2O/c11-9-3-1-2-4-10(9)13-6-8(7-14)5-12-13/h1-7H
InChIKey
NRBRIIOFOSVFQV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnn(c1)c1ccccc1F
Isomeric Smiles
n1(c2ccccc2F)ncc(c1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9142604
LogD (pH = 7.4)
1.9142685
Log P
1.9142686
Molar Refractivity
51.2201
Polarizability
18.97926
Polar Surface Area
34.89
Rotatable Bonds
2
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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