Molecule

ID:25922

General Information
Structure
Molecular Formula
C₁₇H₁₃FN₂O
Molecular Mass
280.2963232
Exact Mass
280.10119127
Charge
0
InChI
InChI=1S/C17H13FN2O/c18-16-8-4-5-13(9-16)10-20-11-15(12-21)17(19-20)14-6-2-1-3-7-14/h1-9,11-12H,10H2
InChIKey
SWVMEQAOLLNPIN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1ccccc1)Cc1cccc(c1)F
Isomeric Smiles
c1(c(nn(c1)Cc1cc(F)ccc1)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0138345
LogD (pH = 7.4)
4.013859
Log P
4.013859
Molar Refractivity
91.1386
Polarizability
30.991348
Polar Surface Area
34.89
Rotatable Bonds
4
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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