Nc1cc([N+](=O)[O-])cc2c1OCC2
Name: 7-amino-5-nitro-2,3-dihydrobenzofuran
SMILES: Nc1cc([N+](=O)[O-])cc2c1OCC2

Molecular Processing

Molecular formula
C8H8N2O3
Molecular weight
180.16
Exact mass
180.0535
XLogP
1.11
TPSA
78.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
46.71

Supplementary Information

Details werden geladen…

An 4 Reaktionen beteiligt