Molecule

ID:123730

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇FN₂O
Molecular Mass
202.1844832
Exact Mass
202.05424107
Charge
0
InChI
InChI=1S/C11H7FN2O/c12-8-1-2-10-9(7-8)11(15)3-5-14(10)6-4-13/h1-3,5,7H,6H2
InChIKey
SYLNARRQZOCFQK-UHFFFAOYSA-N
Canonic Smiles
N#CCn1ccc(=O)c2c1ccc(c2)F
Isomeric Smiles
c12c(n(ccc1=O)CC#N)ccc(c2)F
Calculated Properties
JChem
Acid pKa
16.41499
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4644965
LogD (pH = 7.4)
1.4644965
Log P
1.4644965
Molar Refractivity
54.5338
Polarizability
19.300055
Polar Surface Area
44.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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