이름: 1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
SMILES:
C1C2CC1(C(=O)NC2=O)C3=CC=C(C=C3)[N+](=O)[O-]Molecular Processing
Molecular formula
C12H10N2O4
Molecular weight
246.22
Exact mass
246.0641
XLogP
0.9
TPSA
89.31
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
60.65
Supplementary Information
InChIKey: ZIXOPWUAXZORNK-UHFFFAOYSA-N
동의어
SCHEMBL10350305ZIXOPWUAXZORNK-UHFFFAOYSA-N1-(4-nitropenyl)-3-azabicyclo[3.1.1]heptane-2,4 -dione1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
36개 반응에 참여→