이름: [2-(dimethylamino)ethyl]{2-[(5-nitro(2-pyridyl))amino]ethyl}[(2-nitrophenyl)sulfonyl]amine
SMILES:
CN(C)CCN(CCNc1ccc([N+](=O)[O-])cn1)S(=O)(=O)c1ccccc1[N+](=O)[O-]Molecular Processing
Molecular formula
C17H22N6O6S
Molecular weight
438.47
Exact mass
438.1322
XLogP
1.56
TPSA
151.82
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
30
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
109.79
Supplementary Information
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