Name: citalopram
SMILES:
CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21Molecular Processing
Molecular formula
C20H21FN2O
Molecular weight
324.4
Exact mass
324.1638
XLogP
3.81
TPSA
36.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
90.91
Supplementary Information
Details werden geladen…
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