Chemical ID: 4727631

c1cc(c(cc1Br)F)CN2CCCNCC2
Chemical ID:
4727631
Name [?]:
1-[(4-bromo-2-fluoro-phenyl)methyl]-1,4-diazepane
SMILES [?]:
c1cc(c(cc1Br)F)CN2CCCNCC2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H16BrFN2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.59839
Area:400.716
Solvation:-2.41952
Coulombic:-17.9402
Bond Count [?]
All:17
Single:14
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:287.171
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.49
LogP (Chemaxon):2.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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