COc1c(N2CC(C)N(C(=O)CN=[N+]=[N-])C(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(C3CC3)c12.Cl
名称: compound
SMILES: COc1c(N2CC(C)N(C(=O)CN=[N+]=[N-])C(C)C2)c(F)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3Cl)cn(C3CC3)c12.Cl

Molecular Processing

Molecular formula
C29H31Cl3FN7O4
Molecular weight
666.97
Exact mass
665.1487
XLogP
5.88
TPSA
132.64
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.414
Molar refractivity
169.87

Supplementary Information

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