CCCCCCC(C(=O)O)N1C=C(N=C1)[N+](=O)[O-]
Name: 2-(4-nitroimidazol-1-yl)octanoic acid
SMILES: CCCCCCC(C(=O)O)N1C=C(N=C1)[N+](=O)[O-]

Molecular Processing

Molecular formula
C11H17N3O4
Molecular weight
255.27
Exact mass
255.1219
XLogP
2.39
TPSA
98.26
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
64.31

Supplementary Information

InChIKey: FXYGUOHEDNYHEL-UHFFFAOYSA-N
Synonyme
SCHEMBL8999603FXYGUOHEDNYHEL-UHFFFAOYSA-N2-(4-nitro-1H-imidazol-1-yl)octanoic acid2-(4-Nitro-1H-imidazol-1-yl) octanoic acid2-(4-nitro-1H-imidazol-1-yl)-octanoic acidalpha-hexyl-4-nitro-1H-imidazole-1-acetic acid
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