Chemical ID: 4143789

Cc1ccc(cc1)OCC(=O)Nc2cccc(c2)[N+](=O)[O-]
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

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Descriptor Annotations

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