CC(C)c1cccc(C(C)C)c1N1CC(=N)N(c2c(C(C)C)cccc2C(C)C)C1.[Cl-].[Cl-].[Ti+2][CH]1C=CC=C1
SMILES: CC(C)c1cccc(C(C)C)c1N1CC(=N)N(c2c(C(C)C)cccc2C(C)C)C1.[Cl-].[Cl-].[Ti+2][CH]1C=CC=C1

Molecular Processing

Molecular formula
C32H44Cl2N3Ti
Molecular weight
589.5
Exact mass
588.2392
XLogP
2.9
TPSA
30.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
4
Fraction Csp3
0.469
Molar refractivity
153.69

Supplementary Information

Récupération des détails…

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→