이름: 1a
SMILES:
CN1CC23c4ccccc4C(c4ccccc4C2(Br)C1=O)C3BrMolecular Processing
Molecular formula
C19H15Br2NO
Molecular weight
433.14
Exact mass
430.952
XLogP
3.91
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
23
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
97.36
Supplementary Information
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