Chemical ID: 5437020

CC(=O)Nc1ncc(s1)Cc2cccc(c2)[N+](=O)[O-]
Chemical ID:
5437020
Name [?]:
N-[5-[(3-nitrophenyl)methyl]thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1ncc(s1)Cc2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H11N3O3S/c1-8(16)14-12-13-7-11(19-12)6-9-3-2-4-10(5-9)15(17)18/h2-5,7H,6H2,1H3,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,16,10,7,2,11,15,8,5,6,4,17,3,18,19,9/E:(17,18)/CRV:15.5/rA:19nCCONCNCCSCCCCCCCN+OO-/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3O3S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.22498
Area:470.191
Solvation:-8.52978
Coulombic:-35.9378
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.3
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.0
LogP (Chemaxon):2.27

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Descriptor Annotations

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