名称: 3-oxo-1-phenyl-5-(3-phenylpropoxy)indene-2-carbonitrile
SMILES:
C1=CC=C(C=C1)CCCOC2=CC3=C(C=C2)C(=C(C3=O)C#N)C4=CC=CC=C4Molecular Processing
Molecular formula
C25H19NO2
Molecular weight
365.43
Exact mass
365.1416
XLogP
5.22
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.12
Molar refractivity
109.11
Supplementary Information
InChIKey: GRGXCQCVWIXFND-UHFFFAOYSA-N
同義語
SCHEMBL3567986GRGXCQCVWIXFND-UHFFFAOYSA-N1-oxo-3-phenyl-6-(3-phenylpropoxy)-1H-indene-2-carbonitrile1-oxo-3-phenyl-6-(3-phenyl-propoxy)-1H-indene-2-carbonitrile
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