Chemical ID: 5246446

CC(=O)Nc1ccc(cc1[N+](=O)[O-])O
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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Descriptor Annotations

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