Name: 1,2-dichloro-3-hydroxy-8-oxo-5a-propyl-5a,6,7,8-tetrahydrodibenzofuran
SMILES:
CCCC12CCC(=O)C=C1c1c(cc(O)c(Cl)c1Cl)O2Molecular Processing
Molecular formula
C15H14Cl2O3
Molecular weight
313.18
Exact mass
312.032
XLogP
4.38
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
78.61
Supplementary Information
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