Name: 4-amino-4-(6-(trans-4-tert-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)butanoic acid
SMILES:
CC(C)(C)[C@H]1CC[C@H](Oc2ccc3cc(C(N)CCC(=O)O)ccc3c2C(F)(F)F)CC1Molecular Processing
Molecular formula
C25H32F3NO3
Molecular weight
451.53
Exact mass
451.2334
XLogP
6.71
TPSA
72.55
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
118.58
Supplementary Information
Details werden geladen…
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