Название: (1S,4S)-4-(2,5-dimethyl-1H-pyrrol-1-yl)-1-isopropylcyclopent-2-ene-1-carboxylic acid
SMILES:
Cc1ccc(C)n1[C@@H]1C=C[C@@](C(=O)O)(C(C)C)C1Molecular Processing
Molecular formula
C15H21NO2
Molecular weight
247.34
Exact mass
247.1572
XLogP
3.33
TPSA
42.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
71.61
Supplementary Information
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