CC1=NN=C(N2N=C(c3ccc([N+](=O)[O-])cc3)c3cc4c(cc3CC2C)OCO4)SC1
SMILES: CC1=NN=C(N2N=C(c3ccc([N+](=O)[O-])cc3)c3cc4c(cc3CC2C)OCO4)SC1

Molecular Processing

Molecular formula
C21H19N5O4S
Molecular weight
437.48
Exact mass
437.1158
XLogP
3.8
TPSA
101.92
H-bond donors
0
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
10
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
119.31

Supplementary Information

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