名称: phthalazinedione
SMILES:
O=C1N=NC(=O)c2ccccc21Molecular Processing
Molecular formula
C8H4N2O2
Molecular weight
160.13
Exact mass
160.0273
XLogP
1.43
TPSA
58.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.96
Supplementary Information
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