SMILES:
OCCOCCc1ccccn1Molecular Processing
Molecular formula
C9H13NO2
Molecular weight
167.21
Exact mass
167.0946
XLogP
0.63
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
45.85
Supplementary Information
Details werden geladen…
An 1 Reaktionen beteiligt→