Chemical ID: 6831660

c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2C(=O)[O-]
Chemical ID:
6831660
Name [?]:
1-(2-nitrophenyl)sulfonylpiperidine-2-carboxylate
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)N2CCCCC2C(=O)[O-]
InChi [?]:
InChI=1/C12H14N2O6S/c15-12(16)10-6-3-4-8-13(10)21(19,20)11-7-2-1-5-9(11)14(17)18/h1-2,5,7,10H,3-4,6,8H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,16,15,6,17,3,14,5,18,4,19,13,7,20,21,8,9,11,12,10/E:(15,16)(17,18)(19,20)/CRV:14.5,21.6/rA:21cCCCCCCN+OO-SOONCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;d10;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N2O6S-
All Atoms:34
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-41.5677
Area:424.3
Solvation:-52.1752
Coulombic:-13.3177
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.307
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:0.75
LogP (Chemaxon):1.59

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue