Название: 5-chloro-2-dodecyl-3-hydroxy-1,4-naphthoquinone
SMILES:
CCCCCCCCCCCCC1=C(O)C(=O)c2c(Cl)cccc2C1=OMolecular Processing
Molecular formula
C22H29ClO3
Molecular weight
376.92
Exact mass
376.1805
XLogP
6.84
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
106.23
Supplementary Information
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