Chemical ID: 4544107

c1cc2c(cc1C(=O)Nc3ccc(cc3Cl)[N+](=O)[O-])OCCO2
Chemical ID:
4544107
Name [?]:
N-(2-chloro-4-nitro-phenyl)-2,5-dioxabicyclo[4.4.0]deca-6,8,10-triene-8-carboxamide
SMILES [?]:
c1cc2c(cc1C(=O)Nc3ccc(cc3Cl)[N+](=O)[O-])OCCO2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H11ClN2O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.14355
Area:514.104
Solvation:-8.70905
Coulombic:-48.4185
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:334.711
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.0
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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