이름: 5-cyclohex-1-enyl-3-aminothiophene-2-carboxylic acid methyl ester
SMILES:
COC(=O)c1sc(C2=CCCCC2)cc1NMolecular Processing
Molecular formula
C12H15NO2S
Molecular weight
237.32
Exact mass
237.0823
XLogP
3.07
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
66.52
Supplementary Information
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