Name: (3-fluoro-phenyl)-amine
SMILES:
CC(C)[C@H](CN)Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1S(=O)CC2.O=C(O)C(F)(F)FMolecular Processing
Molecular formula
C23H30ClF3N6O3S
Molecular weight
563.05
Exact mass
562.1741
XLogP
3.15
TPSA
124.68
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
2
Fraction Csp3
0.522
Molar refractivity
137.88
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→