Name: 4-bromo-N-(3-iodo-phenyl)-butyramide
SMILES:
O=C(CCCBr)Nc1cccc(I)c1Molecular Processing
Molecular formula
C10H11BrINO
Molecular weight
368.01
Exact mass
366.9069
XLogP
3.4
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
70.82
Supplementary Information
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