이름: 1-acetyl-3-(4-bromo-2,6-difluorophenyl)thiourea
SMILES:
CC(=O)NC(=S)Nc1c(F)cc(Br)cc1FMolecular Processing
Molecular formula
C9H7BrF2N2OS
Molecular weight
309.13
Exact mass
307.9431
XLogP
2.56
TPSA
41.13
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
64.1
Supplementary Information
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