이름: 4-iodo-5-methoxy-10-oxa-tricyclo[5.2.1.0*2,6*]dec-4-en-3-one
SMILES:
COC1=C(I)C(=O)C2C3CCC(O3)C12Molecular Processing
Molecular formula
C10H11IO3
Molecular weight
306.1
Exact mass
305.9753
XLogP
1.66
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
57.94
Supplementary Information
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