SMILES:
COc1ccc(-n2nc(CCCO)c(Br)c2-c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C19H18BrClN2O2
Molecular weight
421.72
Exact mass
420.024
XLogP
4.89
TPSA
47.28
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
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
0.211
Molar refractivity
103.67
Supplementary Information
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