SMILES:
CCOC(=NC#N)C1=CC(C)(C)Oc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C15H15N3O4
Molecular weight
301.3
Exact mass
301.1063
XLogP
3.07
TPSA
97.75
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
80.45
Supplementary Information
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