이름: benzyl 3,3a,4,6-tetrahydropyrrolo[3,4-c]isoxazole-5-carboxylate
SMILES:
O=C(OCc1ccccc1)N1CC2=NOCC2C1Molecular Processing
Molecular formula
C13H14N2O3
Molecular weight
246.27
Exact mass
246.1004
XLogP
1.64
TPSA
51.13
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
65.08
Supplementary Information
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