Chemical ID: 6178713

CC1CCN(CC1)S(=O)(=O)c2cccc(c2)[N+](=O)[O-]
Chemical ID:
6178713
Name [?]:
4-methyl-1-(3-nitrophenyl)sulfonyl-piperidine
SMILES [?]:
CC1CCN(CC1)S(=O)(=O)c2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O4S/c1-10-5-7-13(8-6-10)19(17,18)12-4-2-3-11(9-12)14(15)16/h2-4,9-10H,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,3,7,4,6,16,2,15,11,5,17,18,19,9,10,8/E:(5,6)(7,8)(15,16)(17,18)/CRV:14.5,19.6/rA:19nCCCCNCCSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16N2O4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.67892
Area:446.466
Solvation:-7.48274
Coulombic:-18.1828
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:2.25
LogP (Chemaxon):2.18

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Descriptor Annotations

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