Chemical ID: 6575926

c1cc(c(cc1C(=O)OCC(=O)Nc2ccc(cc2F)F)[N+](=O)[O-])N3CCCCCC3
Chemical ID:
6575926
Name [?]:
(2,4-difluorophenyl)carbamoylmethyl 4-azepan-1-yl-3-nitro-benzoate
SMILES [?]:
c1cc(c(cc1C(=O)OCC(=O)Nc2ccc(cc2F)F)[N+](=O)[O-])N3CCCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21F2N3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:4.50009
Area:635.589
Solvation:-11.3896
Coulombic:-63.4151
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:433.405
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.22
LogP (Chemaxon):3.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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