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Chemical ID: 7477295
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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Experimental Annotations
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Descriptor Annotations
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