Chemical ID: 6383248

CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C
Chemical ID:
6383248
Name [?]:
N-ethyl-4-methyl-3-nitro-benzamide
SMILES [?]:
CCNC(=O)c1ccc(c(c1)[N+](=O)[O-])C
InChi [?]:
InChI=1/C10H12N2O3/c1-3-11-10(13)8-5-4-7(2)9(6-8)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChi Info:
AuxInfo=1/1/N:1,15,2,8,7,11,9,6,10,4,3,12,5,13,14/E:(14,15)/CRV:12.5/rA:15nCCNCOCCCCCCN+OO-C/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;d12;s12;s9;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:3.04276
Area:389.013
Solvation:-6.68257
Coulombic:-33.4944
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.214
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.85
LogP (Chemaxon):1.71

Name Annotations

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Descriptor Annotations

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