CC1C(=O)N(CCC=O)CCN1c1cccc(OC(F)(F)F)c1
Name: 3-[3-methyl-2-oxo-4-(3-trifluoromethoxy-phenyl)-piperazin-1-yl]-propionaldehyde
SMILES: CC1C(=O)N(CCC=O)CCN1c1cccc(OC(F)(F)F)c1

Molecular Processing

Molecular formula
C15H17F3N2O3
Molecular weight
330.31
Exact mass
330.1191
XLogP
2.21
TPSA
49.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
77.19

Supplementary Information

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