이름: N-(4-chloro-3-(3-(2-fluoro-4-iodophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzyl)cyclopropanecarboxamide
SMILES:
O=C(NCc1ccc(Cl)c(-n2nc(-c3ccc(I)cc3F)[nH]c2=O)c1)C1CC1Molecular Processing
Molecular formula
C19H15ClFIN4O2
Molecular weight
512.71
Exact mass
511.9912
XLogP
3.65
TPSA
79.78
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
111.88
Supplementary Information
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