C1CN(CCC1O)CCCOC2=CC=CC=C2[N+](=O)[O-]
名称: 1-[3-(2-nitrophenoxy)propyl]piperidin-4-ol
SMILES: C1CN(CCC1O)CCCOC2=CC=CC=C2[N+](=O)[O-]

Molecular Processing

Molecular formula
C14H20N2O4
Molecular weight
280.32
Exact mass
280.1423
XLogP
1.82
TPSA
75.84
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
74.89

Supplementary Information

InChIKey: ATDFHZDTEWAWGZ-UHFFFAOYSA-N
同義語
SCHEMBL9563286ATDFHZDTEWAWGZ-UHFFFAOYSA-N4-hydroxy-1-[3-(2-nitrophenoxy)propyl]piperidine
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