SMILES:
CC1CC(Oc2ccc([N+](=O)[O-])cc2Cl)CCN1CMolecular Processing
Molecular formula
C13H17ClN2O3
Molecular weight
284.74
Exact mass
284.0928
XLogP
3.11
TPSA
55.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
73.85
Supplementary Information
Obteniendo detalles…
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