이름: 4,5-epoxy-2,3,4,5-tetrahydro-1-benzoxepin
SMILES:
c1ccc2c(c1)OCCC1OC21Molecular Processing
Molecular formula
C10H10O2
Molecular weight
162.19
Exact mass
162.0681
XLogP
1.91
TPSA
21.76
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
44.17
Supplementary Information
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