SMILES:
CCCOc1ccnc(CBr)c1OCMolecular Processing
Molecular formula
C10H14BrNO2
Molecular weight
260.13
Exact mass
259.0208
XLogP
2.77
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
59.21
Supplementary Information
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