SMILES:
N#CCC1CCC(c2nc(-c3ccc(F)cc3[N+](=O)[O-])c(-c3cccnc3F)[nH]2)CC1Molecular Processing
Molecular formula
C22H19F2N5O2
Molecular weight
423.42
Exact mass
423.1507
XLogP
5.51
TPSA
108.5
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
108.75
Supplementary Information
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