Chemical ID: 6528497

CC[NH+](CC)CCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Chemical ID:
6528497
Name [?]:
diethyl-[2-(3-nitrophenyl)sulfonylaminoethyl]ammonium
SMILES [?]:
CC[NH+](CC)CCNS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H19N3O4S/c1-3-14(4-2)9-8-13-20(18,19)12-7-5-6-11(10-12)15(16)17/h5-7,10,13H,3-4,8-9H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,15,13,7,6,17,16,12,8,3,18,19,20,10,11,9/E:(1,2)(3,4)(16,17)(18,19)/CRV:15.5,20.6/rA:20nCCN+CCCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N3O4S+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-28.1551
Area:509.74
Solvation:-40.8986
Coulombic:11.7277
Bond Count [?]
All:20
Single:14
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:302.371
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.34
LogP (Chemaxon):1.19

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Descriptor Annotations

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