Name: product
SMILES:
C=C(c1ccc(I)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2BrMolecular Processing
Molecular formula
C28H28BrF2IN3O5S-
Molecular weight
763.42
Exact mass
761.9951
XLogP
5.06
TPSA
125.21
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
-1
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.393
Molar refractivity
159.69
Supplementary Information
Details werden geladen…
An 4 Reaktionen beteiligt→