이름: thiazole-2-carbonitrile
SMILES:
N#Cc1nccs1Molecular Processing
Molecular formula
C4H2N2S
Molecular weight
110.14
Exact mass
109.9939
XLogP
1.01
TPSA
36.68
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
7
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
Molar refractivity
26.83
Supplementary Information
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