CCCCn1ccc2ccc(C(=O)O)cc21
CAS: 388072-45-5
Nom: 1-butylindole-6-carboxylic acid
SMILES: CCCCn1ccc2ccc(C(=O)O)cc21

Molecular Processing

Molecular formula
C13H15NO2
Molecular weight
217.27
Exact mass
217.1103
XLogP
3.14
TPSA
42.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
63.81

Supplementary Information

InChIKey: DQXNHXYJAGOSDJ-UHFFFAOYSA-N
Synonymes
SCHEMBL3351795DQXNHXYJAGOSDJ-UHFFFAOYSA-N1-butyl-1H-indole-6-carboxylic acidAKOS013059949DS-021607388072-45-5
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→