Nom: difluoroboranyl 1-cyclopropyl-7-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate
SMILES:
B(OC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC)F)C3CC3)(F)FMolecular Processing
Molecular formula
C14H11BF3NO4
Molecular weight
325.05
Exact mass
325.0733
XLogP
2.56
TPSA
57.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
76.37
Supplementary Information
InChIKey: QVAAATXXXVYTQP-UHFFFAOYSA-N
Synonymes
SCHEMBL2825319QVAAATXXXVYTQP-UHFFFAOYSA-N(1-cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinolin-3-yl)carbonyl difluoroborate
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