COc1ccc([N+](=O)[O-])c(C2=CC(C)(C)CC(C)(C)C2)c1
الاسم: 4-methoxy-1-nitro-2-(3,3,5,5-tetramethylcyclohex-1-enyl)benzene
SMILES: COc1ccc([N+](=O)[O-])c(C2=CC(C)(C)CC(C)(C)C2)c1

Molecular Processing

Molecular formula
C17H23NO3
Molecular weight
289.38
Exact mass
289.1678
XLogP
4.83
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
84.42

Supplementary Information

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