Name: 3-(2-chloro-6-fluoro-benzyl)-7-hydroxy-4-methyl-2H-chromen-2-one
SMILES:
Cc1c(Cc2c(F)cccc2Cl)c(=O)oc2cc(O)ccc12Molecular Processing
Molecular formula
C17H12ClFO3
Molecular weight
318.73
Exact mass
318.0459
XLogP
4.19
TPSA
50.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
83.1
Supplementary Information
Details werden geladen…
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