Molecule

ID:50212

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂O
Molecular Mass
190.1737832
Exact Mass
190.05424107
Charge
0
InChI
InChI=1S/C10H7FN2O/c11-9-2-3-10(8(6-9)7-14)13-5-1-4-12-13/h1-7H
InChIKey
CCXPRNAFNCMOAY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)ccc1n1cccn1
Isomeric Smiles
n1(c2c(cc(cc2)F)C=O)nccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9142123
LogD (pH = 7.4)
1.9142679
Log P
1.9142686
Molar Refractivity
51.2201
Polarizability
18.971577
Polar Surface Area
34.89
Rotatable Bonds
2
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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