SMILES:
O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C19H16BrClN2O
Molecular weight
403.71
Exact mass
402.0135
XLogP
5.39
TPSA
44.89
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
100.6
Supplementary Information
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