Nombre: compound
SMILES:
Cl.O=C(c1ccccc1)N1CCCC(CCCN2CCC(C(=O)N3CCCC3)CC2)(c2ccc(Cl)c(Cl)c2)C1Molecular Processing
Molecular formula
C31H40Cl3N3O2
Molecular weight
593.04
Exact mass
591.2186
XLogP
6.7
TPSA
43.86
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
39
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.548
Molar refractivity
161.18
Supplementary Information
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