Chemical ID: 5621040

Cc1ccc(cc1S(=O)(=O)N2CCCCC2)[N+](=O)[O-]
Chemical ID:
5621040
Name [?]:
1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)N2CCCCC2)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O4S/c1-10-5-6-11(14(15)16)9-12(10)19(17,18)13-7-3-2-4-8-13/h5-6,9H,2-4,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,3,4,12,16,6,2,5,7,11,17,18,19,9,10,8/E:(3,4)(7,8)(15,16)(17,18)/CRV:14.5,19.6/rA:19nCCCCCCCSOONCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s13;s14;s11s15;s5;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.39796
Area:435.84
Solvation:-7.49804
Coulombic:-17.7627
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:284.333
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.97
LogP (Chemaxon):2.32

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Descriptor Annotations

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