Chemical ID: 6579017

c1cc(c(cc1C(=O)OCC(=O)Nc2ccc(cc2F)F)[N+](=O)[O-])N3CCCC3
Chemical ID:
6579017
Name [?]:
(2,4-difluorophenyl)carbamoylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate
SMILES [?]:
c1cc(c(cc1C(=O)OCC(=O)Nc2ccc(cc2F)F)[N+](=O)[O-])N3CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17F2N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:3.48195
Area:603.742
Solvation:-11.6116
Coulombic:-62.752
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:405.352
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.5
LogP (Chemaxon):2.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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