Name: 5-Methyl-1-(4-nitrophenyl)-2-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1Molecular Processing
Molecular formula
C20H18N2O4
Molecular weight
350.37
Exact mass
350.1267
XLogP
4.54
TPSA
74.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.15
Molar refractivity
98.55
Supplementary Information
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