SMILES:
Cc1nnc(N2N=C(c3ccc([N+](=O)[O-])cc3)c3cc4c(cc3CC2C)OCO4)s1Molecular Processing
Molecular formula
C20H17N5O4S
Molecular weight
423.45
Exact mass
423.1001
XLogP
3.69
TPSA
102.98
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
111.59
Supplementary Information
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