CAS: 218129-12-5
名称: 3-(4-oxo-1,5,6,7-tetrahydroindol-3-yl)propanoic acid
SMILES:
C1CC2=C(C(=O)C1)C(=CN2)CCC(=O)OMolecular Processing
Molecular formula
C11H13NO3
Molecular weight
207.23
Exact mass
207.0895
XLogP
1.55
TPSA
70.16
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
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
0.455
Molar refractivity
54.02
Supplementary Information
InChIKey: DLNQZPJCLLSKPP-UHFFFAOYSA-N
同義語
3-(4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)propanoic acid218129-12-5SCHEMBL3797505DLNQZPJCLLSKPP-UHFFFAOYSA-N3-carboxyethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole3-(4-Oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)-propionic acid3-(4-oxo-4,5,6,7-tetrahydro-1H-indol-3-yl)propionic acid
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