이름: 4-amino-5-fluoro-2-(3-methylpicolinoyl)phenyl thiocyanate
SMILES:
Cc1cccnc1C(=O)c1cc(N)c(F)cc1SC#NMolecular Processing
Molecular formula
C14H10FN3OS
Molecular weight
287.32
Exact mass
287.0529
XLogP
2.92
TPSA
79.77
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
74.69
Supplementary Information
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