Chemical ID: 4156844

Cc1cccc(c1)C(=O)Nc2ncc(s2)[N+](=O)[O-]
Chemical ID:
4156844
Name [?]:
3-methyl-N-(5-nitrothiazol-2-yl)-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2ncc(s2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H9N3O3S/c1-7-3-2-4-8(5-7)10(15)13-11-12-6-9(18-11)14(16)17/h2-6H,1H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,7,13,2,6,14,8,11,12,10,16,9,17,18,15/E:(16,17)/CRV:14.5/rA:18nCCCCCCCCONCNCCSN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;d11;s12;d13;s11s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3O3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:3.23866
Area:446.049
Solvation:-7.91256
Coulombic:-39.0874
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:263.274
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.77
LogP (Chemaxon):2.71

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Descriptor Annotations

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