이름: 2-amino-5-tert-butyl-thiophene-3-carbonitrile
SMILES:
CC(C)(C)c1cc(C#N)c(N)s1Molecular Processing
Molecular formula
C9H12N2S
Molecular weight
180.28
Exact mass
180.0721
XLogP
2.5
TPSA
49.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
52.15
Supplementary Information
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