CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1C
SMILES: CCOC(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1C

Molecular Processing

Molecular formula
C13H12N2O4
Molecular weight
260.25
Exact mass
260.0797
XLogP
2.37
TPSA
93.23
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.06

Supplementary Information

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