Chemical ID: 3996021

c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2C(=O)O
Chemical ID:
3996021
Name [?]:
1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylic acid
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H14N2O6S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:0.920476
Area:425.706
Solvation:-9.72217
Coulombic:-42.8644
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:314.315
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.23
LogP (Chemaxon):1.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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