이름: (R)-4-(3-iodo-2-methyl-propyl]-4H-benzo[1,4]oxazin-3-one
SMILES:
C[C@@H](CI)CN1C(=O)COc2ccccc21Molecular Processing
Molecular formula
C12H14INO2
Molecular weight
331.15
Exact mass
331.0069
XLogP
2.48
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
72.34
Supplementary Information
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