이름: compound 37
SMILES:
O=[N+]([O-])c1ccc(Oc2ccnc3cc(-c4ccc(C5OCCO5)cn4)sc23)c(F)c1Molecular Processing
Molecular formula
C21H14FN3O5S
Molecular weight
439.42
Exact mass
439.0638
XLogP
5.24
TPSA
96.61
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
110.62
Supplementary Information
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