이름: 4-Oxo-3-aza-tricyclo[4.2.1.0(2,5)]non-7-ene-3-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1C(=O)C2C3C=CC(C3)C21Molecular Processing
Molecular formula
C13H17NO3
Molecular weight
235.28
Exact mass
235.1208
XLogP
1.95
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
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
0.692
Molar refractivity
61.1
Supplementary Information
상세 정보 불러오는 중…
3개 반응에 참여→