C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CCOCC3)C#N
الاسم: 4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxane-4-carbonitrile
SMILES: C1CCN(C1)CCCOC2=CC=C(C=C2)C3(CCOCC3)C#N

Molecular Processing

Molecular formula
C19H26N2O2
Molecular weight
314.43
Exact mass
314.1994
XLogP
3.12
TPSA
45.49
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.632
Molar refractivity
89.57

Supplementary Information

InChIKey: GGQDDRZCQPULDP-UHFFFAOYSA-N
مرادفات
SCHEMBL3270790GGQDDRZCQPULDP-UHFFFAOYSA-N4-[4-(3-Pyrrolidin-1-yl-propoxy)-phenyl]-tetrahydro-pyran-4-carbonitrile4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]tetrahydro-2H-pyran-4-carbonitrile
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