SMILES:
O=C(N[C@H]1CN2CCC1CC2)c1sc2cc([N+](=O)[O-])ccc2c1ClMolecular Processing
Molecular formula
C16H16ClN3O3S
Molecular weight
365.84
Exact mass
365.0601
XLogP
3.29
TPSA
75.48
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
93.91
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→