Chemical ID: 4664119

CC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(=O)C
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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Descriptor Annotations

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