Nom: 23B
SMILES:
Oc1nc2c3ccccc3sc2c2ccccc12Molecular Processing
Molecular formula
C15H9NOS
Molecular weight
251.31
Exact mass
251.0405
XLogP
4.31
TPSA
33.12
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18
Rings
4
Aromatic rings
4
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
76.3
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→