Chemical ID: 3966042

CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F
Chemical ID:
3966042
Name [?]:
1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile
SMILES [?]:
CN(C)CCCC1(c2ccc(cc2CO1)C#N)c3ccc(cc3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21FN2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.64181
Area:539.792
Solvation:-3.853
Coulombic:-22.8792
Bond Count [?]
All:26
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:324.392
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.54
LogP (Chemaxon):3.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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