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Chemical ID: 4664119
Chemical ID:
4664119
Name [?]:
N-(4-acetyl-2-nitro-phenyl)acetamide
SMILES [?]:
CC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(=O)C
InChi [?]:
InChI=1/C10H10N2O4/c1-6(13)8-3-4-9(11-7(2)14)10(5-8)12(15)16/h3-5H,1-2H3,(H,11,14)
InChi Info:
AuxInfo=1/1/N:1,16,5,6,9,2,14,4,7,8,13,10,3,15,11,12/E:(15,16)/CRV:12.5/rA:16nCCOCCCCCCN+OO-NCOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.85792 |
Area: | 394.745 |
Solvation: | -7.0107 |
Coulombic: | -39.1275 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 222.197 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.53 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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