C1CN(CCN1CCC(=O)O)C2=CC=CC(=C2)C(F)(F)F
Nom: 3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoic acid
SMILES: C1CN(CCN1CCC(=O)O)C2=CC=CC(=C2)C(F)(F)F

Molecular Processing

Molecular formula
C14H17F3N2O2
Molecular weight
302.3
Exact mass
302.1242
XLogP
2.3
TPSA
43.78
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.35

Supplementary Information

InChIKey: GDTCVEVTIDTQKL-UHFFFAOYSA-N
Synonymes
3-[4-(3-trifluoromethylphenyl)-1-piperazinyl]propionic acidSCHEMBL2111769AKOS005067543AE-641/010850543-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propanoic acid
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→