名称: 2-fluoromethyl-2-phthalimido-6-iodohexanenitrile
SMILES:
N#CC(CF)(CCCCI)N1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C15H14FIN2O2
Molecular weight
400.19
Exact mass
400.0084
XLogP
3.12
TPSA
61.17
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
84
Supplementary Information
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