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Chemical ID: 6401728
Chemical ID:
6401728
Name [?]:
N-[4-(4-nitrophenyl)thiazol-2-yl]acetamide
SMILES [?]:
CC(=O)Nc1nc(cs1)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H9N3O3S/c1-7(15)12-11-13-10(6-18-11)8-2-4-9(5-3-8)14(16)17/h2-6H,1H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,11,15,12,14,8,2,10,13,7,5,4,6,16,3,17,18,9/E:(2,3)(4,5)(16,17)/CRV:14.5/rA:18nCCONCNCCSCCCCCCN+OO-/rB:s1;d2;s2;s4;d5;s6;d7;s5s8;s7;s10;d11;s12;d13;d10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H9N3O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.93186 |
Area: | 441.148 |
Solvation: | -8.09684 |
Coulombic: | -36.5143 |
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: | 1.88 |
LogP (Chemaxon): | 2.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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