SMILES:
CCCCOc1ccc(Br)cc1-c1cc(Cl)nc(N)n1Molecular Processing
Molecular formula
C14H15BrClN3O
Molecular weight
356.65
Exact mass
355.0087
XLogP
4.32
TPSA
61.03
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
84.99
Supplementary Information
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