이름: 2-[(2,5-dimethylphenyl)oxy]-5-nitropyridine
SMILES:
Cc1ccc(C)c(Oc2ccc([N+](=O)[O-])cn2)c1Molecular Processing
Molecular formula
C13H12N2O3
Molecular weight
244.25
Exact mass
244.0848
XLogP
3.4
TPSA
65.26
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.154
Molar refractivity
66.88
Supplementary Information
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