SMILES:
ClCCCOc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1Molecular Processing
Molecular formula
C15H13BrClN3O
Molecular weight
366.65
Exact mass
364.9931
XLogP
4.4
TPSA
50.8
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
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
0.2
Molar refractivity
87.86
Supplementary Information
Details werden geladen…
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