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Compound
(4-Phenoxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
HCID
59012018
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
O=C(c1ccc(Oc2ccccc2)cc1)N1CCC(N2CCCC2)C1
InChIKey
SQKQXYJHTKDETF-UHFFFAOYSA-N
Molecular formula
C21H24N2O2
Average molar mass
336.4 g/mol
Names & identifiers
Preferred name
(4-Phenoxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
IUPAC
(4-phenoxyphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
Names & synonyms
SCHEMBL3841287
Database identifiers
PubChem CID
59012018
Properties
Computed structural properties
XLogP
3.6
Topological polar surface area
32.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
435
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HRID
192305
As product
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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