SMILES:
Nc1nc(C#CCC2CCN(C(=O)Oc3ccc(Cl)cc3)CC2)nc2c1ncn2C1OC(CO)C(O)C1OMolecular Processing
Molecular formula
C25H27ClN6O6
Molecular weight
542.98
Exact mass
542.1681
XLogP
1.33
TPSA
169.08
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.44
Molar refractivity
136.01
Supplementary Information
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