Cc1ccc(SC(C)C)c([N+](=O)[O-])c1
名称: 1-(isopropylsulfanyl)-4-methyl-2-nitrobenzene
SMILES: Cc1ccc(SC(C)C)c([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C10H13NO2S
Molecular weight
211.29
Exact mass
211.0667
XLogP
3.4
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
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
0.4
Molar refractivity
58.83

Supplementary Information

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