Chemical ID: 4066186

CCOCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
Chemical ID:
4066186
Name [?]:
N-(2-ethoxyethyl)-2-nitro-benzenesulfonamide
SMILES [?]:
CCOCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]
InChi [?]:
InChI=1/C10H14N2O5S/c1-2-17-8-7-11-18(15,16)10-6-4-3-5-9(10)12(13)14/h3-6,11H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,11,5,4,15,10,6,16,17,18,8,9,3,7/E:(13,14)(15,16)/CRV:12.5,18.6/rA:18nCCOCCNSOOCCCCCCN+OO-/rB:s1;s2;s3;s4;s5;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O5S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:1.51171
Area:439.089
Solvation:-9.4655
Coulombic:-28.312
Bond Count [?]
All:18
Single:12
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:274.295
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.87
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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