Chemical ID: 5394708

c1cc(c(cc1C(=O)OCC(=O)Nc2ccc(c(c2)F)F)[N+](=O)[O-])N3CCCCC3
Chemical ID:
5394708
Name [?]:
(3,4-difluorophenyl)carbamoylmethyl 3-nitro-4-(1-piperidyl)benzoate
SMILES [?]:
c1cc(c(cc1C(=O)OCC(=O)Nc2ccc(c(c2)F)F)[N+](=O)[O-])N3CCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19F2N3O5
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:3.33085
Area:621.146
Solvation:-12.1978
Coulombic:-62.5121
Bond Count [?]
All:32
Single:23
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:419.379
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.86
LogP (Chemaxon):3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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