名称: product
SMILES:
CN1CCc2c(N)c(N)cc(Br)c2C1Molecular Processing
Molecular formula
C10H14BrN3
Molecular weight
256.15
Exact mass
255.0371
XLogP
1.6
TPSA
55.28
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
63
Supplementary Information
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