CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1C1=NNC(=O)CS1)OCO3
SMILES: CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1C1=NNC(=O)CS1)OCO3

Molecular Processing

Molecular formula
C20H17N5O5S
Molecular weight
439.45
Exact mass
439.095
XLogP
2.46
TPSA
118.66
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
2
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
114.34

Supplementary Information

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