Название: dichloro-(3-hydroxy-adamantan-1-yl)-acetic acid
SMILES:
O=C(O)C(Cl)(Cl)C12CC3CC(CC(O)(C3)C1)C2Molecular Processing
Molecular formula
C12H16Cl2O3
Molecular weight
279.16
Exact mass
278.0476
XLogP
2.58
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
64.14
Supplementary Information
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