COC(=O)C(C#N)C1(CCOC2(C1)CCCCC2)C3=CC=C(C=C3)F
الاسم: methyl 2-cyano-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetate
SMILES: COC(=O)C(C#N)C1(CCOC2(C1)CCCCC2)C3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C20H24FNO3
Molecular weight
345.41
Exact mass
345.174
XLogP
3.89
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
90.2

Supplementary Information

InChIKey: ICIXQDYUEDKWCB-UHFFFAOYSA-N
مرادفات
SCHEMBL12540893ICIXQDYUEDKWCB-UHFFFAOYSA-Nmethyl 2-cyano-2-[4-(4-fluorophenyl)-1-oxaspiro[5.5]undecan-4-yl]acetate
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