Nom: 2-Nitro-6,6a,7,8,9,10-hexahydro-12H-pyrido[2,1-c][1,4]benzoxazepine hydrochloride
SMILES:
Cl.O=[N+]([O-])c1ccc2c(c1)CN1CCCCC1CO2Molecular Processing
Molecular formula
C13H17ClN2O3
Molecular weight
284.74
Exact mass
284.0928
XLogP
2.76
TPSA
55.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.538
Molar refractivity
73.89
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→