이름: 1-methyl-2-(methyloxy)-4-[(4-nitrophenyl)oxy]benzene
SMILES:
COc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1CMolecular Processing
Molecular formula
C14H13NO4
Molecular weight
259.26
Exact mass
259.0845
XLogP
3.7
TPSA
61.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
70.9
Supplementary Information
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