Name: Ethyl 1,2-dimethyl-5-phenyl-1H-pyrrole-3-carboxylic acid
SMILES:
CCc1c(C(=O)O)c(C)n(C)c1-c1ccccc1Molecular Processing
Molecular formula
C15H17NO2
Molecular weight
243.31
Exact mass
243.1259
XLogP
3.26
TPSA
42.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
71.92
Supplementary Information
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