SMILES:
CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1CMolecular Processing
Molecular formula
C14H15BrN2O2
Molecular weight
323.19
Exact mass
322.0317
XLogP
3.43
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
76.69
Supplementary Information
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