이름: (2-bromo-1-oxoindan-4-yl)acetic acid
SMILES:
CC(C)(C)OC(=O)Cc1cccc2c1CC(Br)C2=OMolecular Processing
Molecular formula
C15H17BrO3
Molecular weight
325.2
Exact mass
324.0361
XLogP
3.07
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
76.74
Supplementary Information
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