이름: Acetic acid 10-trifluoroacetyl-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-4-yl ester
SMILES:
CC(=O)Oc1ccc2c(c1)C1CC2CN(C(=O)C(F)(F)F)C1Molecular Processing
Molecular formula
C15H14F3NO3
Molecular weight
313.27
Exact mass
313.0926
XLogP
2.59
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
70.49
Supplementary Information
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