Chemical ID: 7477295

c1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2cccc(c2)C#N
Chemical ID:
7477295
Name [?]:
N-(3-cyanophenyl)-2-(2-nitrophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])OCC(=O)Nc2cccc(c2)C#N
InChi [?]:
InChI=1/C15H11N3O4/c16-9-11-4-3-5-12(8-11)17-15(19)10-22-14-7-2-1-6-13(14)18(20)21/h1-8H,10H2,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,6,3,20,21,11,19,15,5,4,12,22,14,7,13,8,9,10/E:(20,21)/CRV:18.5/rA:22nCCCCCCN+OO-OCCONCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11N3O4
All Atoms:33
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:0.049168
Area:504.102
Solvation:-12.5534
Coulombic:-40.1098
Bond Count [?]
All:23
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.266
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.17
LogP (Chemaxon):2.64

Name Annotations

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Descriptor Annotations

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