Molecule

ID:38022

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀FN₃O₂
Molecular Mass
271.2465032
Exact Mass
271.0757048
Charge
0
InChI
InChI=1S/C14H10FN3O2/c1-20-14(19)12-8-11(9-2-4-10(15)5-3-9)17-13-6-7-16-18(12)13/h2-8H,1H3
InChIKey
FAIWKEDNOVZGHI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(nc2n1ncc2)c1ccc(cc1)F
Isomeric Smiles
c1(n2c(nc(c1)c1ccc(cc1)F)ccn2)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7522132
LogD (pH = 7.4)
2.7522283
Log P
2.7522283
Molar Refractivity
80.657
Polarizability
27.436407
Polar Surface Area
56.49
Rotatable Bonds
3
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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