Название: 4-[4-(4-ethylcyclohexyl)cyclohexyl]-2,6-difluoroaniline
SMILES:
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)N)FMolecular Processing
Molecular formula
C20H29F2N
Molecular weight
321.45
Exact mass
321.2268
XLogP
6.04
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
91.21
Supplementary Information
InChIKey: YHVHPVKSMFZZCT-UHFFFAOYSA-N
Синонимы
SCHEMBL6756586YHVHPVKSMFZZCT-UHFFFAOYSA-N4-(4'-ethylbicyclohexyl-4-yl)-2,6-difluorophenylamine
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