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Chemical ID: 6383248
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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Experimental Annotations
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Descriptor Annotations
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