名称: compound XXIII
SMILES:
CC1Cc2cc3c(cc2C(c2ccc([N+](=O)[O-])cc2)=NN1C#N)OCO3Molecular Processing
Molecular formula
C18H14N4O4
Molecular weight
350.33
Exact mass
350.1015
XLogP
2.8
TPSA
100.99
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
91.92
Supplementary Information
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