SMILES:
O=c1c(Cc2ccc[n+]([O-])c2)nc2cccnc2n1-c1cccc(C=Cc2cc(Cl)cc(Cl)c2)c1Molecular Processing
Molecular formula
C27H18Cl2N4O2
Molecular weight
501.37
Exact mass
500.0807
XLogP
5.48
TPSA
74.72
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.037
Molar refractivity
138.73
Supplementary Information
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