名称: 2-[3-(3-hydroxyphenyl)propyl]isoindole-1,3-dione
SMILES:
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=CC(=CC=C3)OMolecular Processing
Molecular formula
C17H15NO3
Molecular weight
281.31
Exact mass
281.1052
XLogP
2.62
TPSA
57.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
78.24
Supplementary Information
InChIKey: KTGFJCGZBXVGSK-UHFFFAOYSA-N
同義語
SCHEMBL2207464KTGFJCGZBXVGSK-UHFFFAOYSA-N2-[3-(3-hydroxyphenyl)propyl]isoindole-1,3-dione2-(3-(3-hydroxyphenyl)propyl)isoindoline-1,3-dione
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