Chemical ID: 3996041

c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N2CCCC2C(=O)O
Chemical ID:
3996041
Name [?]:
1-(4-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N2CCCC2C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H12N2O6S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:1.89106
Area:456.115
Solvation:-9.5118
Coulombic:-43.1628
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.289
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:0.87
LogP (Chemaxon):1.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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