SMILES:
O=C(O)c1ccc(C2(NC(=O)c3cc(Cl)cnc3N3CC(Oc4cccc(N5CCNCC5)c4)C3)CC2)cc1Molecular Processing
Molecular formula
C29H30ClN5O4
Molecular weight
548.04
Exact mass
547.1986
XLogP
3.53
TPSA
107.03
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
39
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.345
Molar refractivity
149.18
Supplementary Information
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