Название: alcohol
SMILES:
C=CCC1(O)C(Cl)(Cl)CCCC1(Cl)ClMolecular Processing
Molecular formula
C9H12Cl4O
Molecular weight
278.01
Exact mass
275.9642
XLogP
3.83
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
62.49
Supplementary Information
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