C=CCO[C@@H]1C[C@H](N)c2cc(Br)ccc21
名称: (1S,3R)-3-(Allyloxy)-6-bromo-2,3-dihydro-1H-inden-1-amine
SMILES: C=CCO[C@@H]1C[C@H](N)c2cc(Br)ccc21

Molecular Processing

Molecular formula
C12H14BrNO
Molecular weight
268.15
Exact mass
267.0259
XLogP
3.1
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
64.58

Supplementary Information

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