SMILES:
O=S1(=O)NCCN1Cc1ccccc1Molecular Processing
Molecular formula
C9H12N2O2S
Molecular weight
212.27
Exact mass
212.0619
XLogP
0.34
TPSA
49.41
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
53.77
Supplementary Information
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