SMILES:
C=CCC(C)(C)C(O)C(c1cccc(Br)c1)n1ccnc1Molecular Processing
Molecular formula
C17H21BrN2O
Molecular weight
349.27
Exact mass
348.0837
XLogP
4.2
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
89.11
Supplementary Information
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