Name: 2-(4-formylphenyl)thiophene-3-carbonitrile
SMILES:
N#Cc1ccsc1-c1ccc(C=O)cc1Molecular Processing
Molecular formula
C12H7NOS
Molecular weight
213.26
Exact mass
213.0248
XLogP
3.1
TPSA
40.86
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
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
Molar refractivity
59.86
Supplementary Information
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