Molecule

ID:97270

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁FN₂O₂
Molecular Mass
270.2584432
Exact Mass
270.08045582
Charge
0
InChI
InChI=1S/C15H11FN2O2/c16-9-5-6-14(19)10(7-9)13-8-15(20)18-12-4-2-1-3-11(12)17-13/h1-7,19H,8H2,(H,18,20)
InChIKey
ZFMHDLXJLIJMEW-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2N=C(C1)c1cc(F)ccc1O
Isomeric Smiles
N1=C(c2c(ccc(c2)F)O)CC(=O)Nc2c1cccc2
Calculated Properties
JChem
Acid pKa
8.471281
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.8846102
LogD (pH = 7.4)
2.8499382
Log P
2.885073
Molar Refractivity
75.9671
Polarizability
26.900427
Polar Surface Area
61.69
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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