名称: compound
SMILES:
O=C(Cn1nc(-c2ccc(Cl)cc2)n(C[C@H](O)C(F)(F)F)c1=O)NC(C[N+](=O)[O-])c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C22H18ClF6N5O5
Molecular weight
581.86
Exact mass
581.0901
XLogP
3.44
TPSA
132.29
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
39
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
123.18
Supplementary Information
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