Name: 3-ethoxycarbonyl-6,7-difluorocarbostyril
SMILES:
CCOC(=O)c1cc2cc(F)c(F)cc2[nH]c1=OMolecular Processing
Molecular formula
C12H9F2NO3
Molecular weight
253.2
Exact mass
253.055
XLogP
1.98
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
60.44
Supplementary Information
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Involved in 3 reactions→