الاسم: 3-n-butylthio-5-nitrophthalic acid N-methylimide
SMILES:
CCCCSc1cc([N+](=O)[O-])cc(C(O)=NC)c1C(=O)OMolecular Processing
Molecular formula
C13H16N2O5S
Molecular weight
312.35
Exact mass
312.078
XLogP
3.12
TPSA
113.03
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
80.78
Supplementary Information
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