이름: cyano-(4-fluoro-5-methyl-2-nitrophenyl)acetic acid benzyl ester
SMILES:
Cc1cc(C(C#N)C(=O)OCc2ccccc2)c([N+](=O)[O-])cc1FMolecular Processing
Molecular formula
C17H13FN2O4
Molecular weight
328.3
Exact mass
328.0859
XLogP
3.39
TPSA
93.23
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
82.38
Supplementary Information
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