SMILES:
COCCn1ccc2nccc(Sc3ccc([N+](=O)[O-])cc3)c21Molecular Processing
Molecular formula
C16H15N3O3S
Molecular weight
329.38
Exact mass
329.0834
XLogP
3.74
TPSA
70.19
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
88.83
Supplementary Information
Details werden geladen…
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