Название: (+)-2,6-dimethyl-3-nitro-4-(2-trifluoromethylphenyl)-5-carboxy-1,4-dihydropyridine
SMILES:
CC1=C(C(=O)O)C(c2ccccc2C(F)(F)F)C([N+](=O)[O-])=C(C)N1Molecular Processing
Molecular formula
C15H13F3N2O4
Molecular weight
342.27
Exact mass
342.0827
XLogP
3.26
TPSA
92.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
77.35
Supplementary Information
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