SMILES:
C=C(C(=O)OC(C)(C)C)C(CCCc1ccc(Cl)cc1)C(=O)N1CCCCC1Molecular Processing
Molecular formula
C23H32ClNO3
Molecular weight
405.97
Exact mass
405.2071
XLogP
5.19
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.565
Molar refractivity
113.3
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→