SMILES:
O=C(NC1CCN(CCN2CCC(O)CC2)CC1)c1cc2c(OCc3coc4cc(Cl)ccc34)cccc2[nH]1Molecular Processing
Molecular formula
C30H35ClN4O4
Molecular weight
551.09
Exact mass
550.2347
XLogP
4.8
TPSA
93.97
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.433
Molar refractivity
152.46
Supplementary Information
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