Name: 4-(6-(trans-4-tert-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)-4-nitropentanoic acid
SMILES:
CC(CCC(=O)O)(c1ccc2c(C(F)(F)F)c(O[C@H]3CC[C@H](C(C)(C)C)CC3)ccc2c1)[N+](=O)[O-]Molecular Processing
Molecular formula
C26H32F3NO5
Molecular weight
495.54
Exact mass
495.2233
XLogP
7.2
TPSA
89.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
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
0.577
Molar refractivity
126
Supplementary Information
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