SMILES:
C[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CC4(CCN(Cc5ccccc5)CC4)c4c3ccc(Cl)c4CNC(=O)OC(C)(C)C)c21Molecular Processing
Molecular formula
C40H43ClN6O6
Molecular weight
739.27
Exact mass
738.2933
XLogP
8.15
TPSA
140.03
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
53
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
200.48
Supplementary Information
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