Chemical ID: 5045313

Cc1cc(c(cc1[N+](=O)[O-])C)NC(=O)C
Chemical ID:
5045313
Name [?]:
N-(2,5-dimethyl-4-nitro-phenyl)acetamide
SMILES [?]:
Cc1cc(c(cc1[N+](=O)[O-])C)NC(=O)C
InChi [?]:
InChI=1/C10H12N2O3/c1-6-5-10(12(14)15)7(2)4-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:11,1,15,3,6,5,2,13,4,7,12,8,14,9,10/E:(14,15)/CRV:12.5/rA:15nCCCCCCCN+OO-CNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;s4;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:2.78322
Area:378.304
Solvation:-6.67438
Coulombic:-31.1944
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.214
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.5
LogP (Chemaxon):1.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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