Name: compound 48a
SMILES:
COC(=O)c1cc2c(Oc3ccc([N+](=O)[O-])cc3Cl)ccnc2cc1OCMolecular Processing
Molecular formula
C18H13ClN2O6
Molecular weight
388.76
Exact mass
388.0462
XLogP
4.38
TPSA
100.79
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
97.81
Supplementary Information
Details werden geladen…
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