SMILES:
Cc1ccc(C2N=C(c3ccco3)NC(COCCN3CCCCC3)=C2C(=O)OCCCc2cccs2)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C31H36N4O6S
Molecular weight
592.72
Exact mass
592.2356
XLogP
5.58
TPSA
119.44
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
13
Heavy atoms
42
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.419
Molar refractivity
160.69
Supplementary Information
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