Name: 4-Nitro-4-[6-(cis-4-trifluoromethyl-cyclohexyloxy)-naphthalen-2-yl]-pentanoic acid methyl ester
SMILES:
COC(=O)CCC(C)(c1ccc2cc(O[C@H]3CC[C@@H](C(F)(F)F)CC3)ccc2c1)[N+](=O)[O-]Molecular Processing
Molecular formula
C23H26F3NO5
Molecular weight
453.46
Exact mass
453.1763
XLogP
5.78
TPSA
78.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.522
Molar refractivity
111.97
Supplementary Information
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