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Chemical ID: 5045313
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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