COC(=O)C1Cc2c(ccc3c2ccn3C(=O)CCCN(CCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3Cl)cc2)N1
SMILES: COC(=O)C1Cc2c(ccc3c2ccn3C(=O)CCCN(CCCOC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(N=Nc3ccc([N+](=O)[O-])cc3Cl)cc2)N1

Molecular Processing

Molecular formula
C52H49ClN6O8
Molecular weight
921.45
Exact mass
920.33
XLogP
11.47
TPSA
159.12
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
19
Heavy atoms
67
Rings
8
Aromatic rings
7
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
258.75

Supplementary Information

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