SMILES:
CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1c1nc(C(=O)O)cs1)OCO3Molecular Processing
Molecular formula
C21H16N4O6S
Molecular weight
452.45
Exact mass
452.0791
XLogP
3.68
TPSA
127.39
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
116.02
Supplementary Information
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