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Chemical ID: 5246446
Chemical ID:
5246446
Name [?]:
N-(4-hydroxy-2-nitro-phenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1[N+](=O)[O-])O
InChi [?]:
InChI=1/C8H8N2O4/c1-5(11)9-7-3-2-6(12)4-8(7)10(13)14/h2-4,12H,1H3,(H,9,11)
InChi Info:
AuxInfo=1/1/N:1,7,6,9,2,8,5,10,4,11,3,14,12,13/E:(13,14)/CRV:10.5/rA:14nCCONCCCCCCN+OO-O/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s8;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H8N2O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.8062 |
Area: | 350.296 |
Solvation: | -6.95119 |
Coulombic: | -47.0524 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 196.16 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.86 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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