Name: 6-ethyl-8-fluoro-5-[(3-chloro-4-methoxyphenyl)sulfonyl]-5,6-dihydrophenanthridine
SMILES:
CCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(OC)c(Cl)c1Molecular Processing
Molecular formula
C22H19ClFNO3S
Molecular weight
431.92
Exact mass
431.0758
XLogP
5.81
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
112.54
Supplementary Information
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