이름: Example 1
SMILES:
O=Cc1ccc(-c2ncc(Br)s2)cc1ClMolecular Processing
Molecular formula
C10H5BrClNOS
Molecular weight
302.58
Exact mass
300.8964
XLogP
4.04
TPSA
29.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
65.65
Supplementary Information
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