SMILES:
Cl.O=C(N[C@@H](COCC1CCN(C2CC2)CC1)c1ccccc1)c1ccc2c(Cl)c[nH]c2c1Molecular Processing
Molecular formula
C26H31Cl2N3O2
Molecular weight
488.46
Exact mass
487.1793
XLogP
5.61
TPSA
57.36
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
33
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.423
Molar refractivity
135.34
Supplementary Information
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