COc1ccc(C(Nc2nc(Cl)nc3c2ncn3C2CC(n3cc(C)cn3)C(O)C2O)c2ccc(OC)cc2)cc1
SMILES: COc1ccc(C(Nc2nc(Cl)nc3c2ncn3C2CC(n3cc(C)cn3)C(O)C2O)c2ccc(OC)cc2)cc1

Molecular Processing

Molecular formula
C29H30ClN7O4
Molecular weight
576.06
Exact mass
575.2048
XLogP
4.11
TPSA
132.37
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
41
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
153.46

Supplementary Information

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