SMILES:
Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1BrMolecular Processing
Molecular formula
C20H19BrCl2N2O
Molecular weight
454.2
Exact mass
452.0058
XLogP
6.95
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
110.88
Supplementary Information
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Involved in 12 reactions→