CCCN1CCc2c(N)c([N+](=O)[O-])cc(Br)c2C1
名称: product
SMILES: CCCN1CCc2c(N)c([N+](=O)[O-])cc(Br)c2C1

Molecular Processing

Molecular formula
C12H16BrN3O2
Molecular weight
314.18
Exact mass
313.0426
XLogP
2.71
TPSA
72.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
74.48

Supplementary Information

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