CCOC(=O)c1ccc2c(C=O)c(C(C)C)[nH]c2c1
Nom: ethyl 3-formyl-2-propan-2-yl-1H-indole-6-carboxylate
SMILES: CCOC(=O)c1ccc2c(C=O)c(C(C)C)[nH]c2c1

Molecular Processing

Molecular formula
C15H17NO3
Molecular weight
259.3
Exact mass
259.1208
XLogP
3.28
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
73.73

Supplementary Information

InChIKey: HKGFNPIUGSPNNW-UHFFFAOYSA-N
Synonymes
SCHEMBL4883326HKGFNPIUGSPNNW-UHFFFAOYSA-NEthyl 3-Formyl-2-isopropyl-1H-indole-6-carboxylateEthyl3-Formyl-2-isopropyl-1H-indole-6-carboxylate
Voir la source →
Impliqué dans 10 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→