SMILES:
CNC(=S)C1=CC2(CCOCC2)Oc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C15H16N2O4S
Molecular weight
320.37
Exact mass
320.0831
XLogP
2.47
TPSA
73.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
86.14
Supplementary Information
Récupération des détails…
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