이름: α,α-bis(trifluoromethyl)-4,5-bis(4-fluorophenyl)-1H-pyrrole-2-methanamine
SMILES:
NC(c1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)(C(F)(F)F)C(F)(F)FMolecular Processing
Molecular formula
C19H12F8N2
Molecular weight
420.3
Exact mass
420.0873
XLogP
5.91
TPSA
41.81
H-bond donors
2
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
89.56
Supplementary Information
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