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Chemical ID: 4143789
Chemical ID:
4143789
Name [?]:
2-(4-methylphenoxy)-N-(3-nitrophenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2cccc(c2)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H14N2O4/c1-11-5-7-14(8-6-11)21-10-15(18)16-12-3-2-4-13(9-12)17(19)20/h2-9H,10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,3,7,4,6,18,9,2,13,17,5,10,12,19,11,20,21,8/E:(5,6)(7,8)(19,20)/CRV:17.5/rA:21nCCCCCCCOCCONCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.52072 |
Area: | 492.125 |
Solvation: | -9.78242 |
Coulombic: | -39.3344 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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