이름: 2-Ethyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
SMILES:
CCc1cc2c(C(F)(F)F)c(C#N)ccc2[nH]1Molecular Processing
Molecular formula
C12H9F3N2
Molecular weight
238.21
Exact mass
238.0718
XLogP
3.62
TPSA
39.58
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
57.39
Supplementary Information
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