Name: 4-amino-4-(6-(trans-4-tert-butylcyclohexyloxy)naphthalen-2-yl)pentanoic acid
SMILES:
CC(N)(CCC(=O)O)c1ccc2cc(O[C@H]3CC[C@H](C(C)(C)C)CC3)ccc2c1Molecular Processing
Molecular formula
C25H35NO3
Molecular weight
397.56
Exact mass
397.2617
XLogP
5.86
TPSA
72.55
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.56
Molar refractivity
118.19
Supplementary Information
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