이름: (R)-Methyl 5-(sec-butylamino)-4-cyano-2-(trifluoromethyl)benzoate
SMILES:
CC[C@@H](C)Nc1cc(C(=O)OC)c(C(F)(F)F)cc1C#NMolecular Processing
Molecular formula
C14H15F3N2O2
Molecular weight
300.28
Exact mass
300.1086
XLogP
3.57
TPSA
62.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.87
Supplementary Information
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