Name: 5-diallylaminomethyl-thiophene-2-carboxylic acid
SMILES:
C=CCN(CC=C)Cc1ccc(C(=O)O)s1Molecular Processing
Molecular formula
C12H15NO2S
Molecular weight
237.32
Exact mass
237.0823
XLogP
2.62
TPSA
40.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
66.95
Supplementary Information
Details werden geladen…
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