Name: 2-amino-2-methyl-3-(5-trifluoromethyl-2H-benzotriazol-2-yl)-propionitrile
SMILES:
CC(N)(C#N)Cn1nc2ccc(C(F)(F)F)cc2n1Molecular Processing
Molecular formula
C11H10F3N5
Molecular weight
269.23
Exact mass
269.0888
XLogP
1.69
TPSA
80.52
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.74
Supplementary Information
Details werden geladen…
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