COC1=CC(=CC(=C1)C2=C3C(=C(C=C2)C#N)N=CC=N3)OC
이름: 8-(3,5-dimethoxyphenyl)quinoxaline-5-carbonitrile
SMILES: COC1=CC(=CC(=C1)C2=C3C(=C(C=C2)C#N)N=CC=N3)OC

Molecular Processing

Molecular formula
C17H13N3O2
Molecular weight
291.31
Exact mass
291.1008
XLogP
3.19
TPSA
68.03
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
82.79

Supplementary Information

InChIKey: ODNPZHMTGBKKNI-UHFFFAOYSA-N
동의어
SCHEMBL1126023ODNPZHMTGBKKNI-UHFFFAOYSA-N8-(3,5-dimethoxy-phenyl)-quinoxaline-5-carbonitrile
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