Name: product
SMILES:
CN1CCC2C(=C([N+](=O)[O-])C=CC2Br)C1Molecular Processing
Molecular formula
C10H13BrN2O2
Molecular weight
273.13
Exact mass
272.016
XLogP
1.8
TPSA
46.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
61.48
Supplementary Information
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