SMILES:
OCCCc1cncn1Cc1ccc(Br)cc1Molecular Processing
Molecular formula
C13H15BrN2O
Molecular weight
295.18
Exact mass
294.0368
XLogP
2.62
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
70.88
Supplementary Information
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