SMILES:
N=C(NO)C1CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C9H16N2O3
Molecular weight
200.24
Exact mass
200.1161
XLogP
0.88
TPSA
74.57
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
49.24
Supplementary Information
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