SMILES:
BrCc1cc(C2CC2)nc(Nc2ccccc2)n1Molecular Processing
Molecular formula
C14H14BrN3
Molecular weight
304.19
Exact mass
303.0371
XLogP
3.99
TPSA
37.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
76.36
Supplementary Information
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