Chemical ID: 7363215

COc1cc(ccc1OCC(=O)Nc2ccc(cc2)[N+](=O)[O-])C#N
Chemical ID:
7363215
Name [?]:
2-(4-cyano-2-methoxy-phenoxy)-N-(4-nitrophenyl)-acetamide
SMILES [?]:
COc1cc(ccc1OCC(=O)Nc2ccc(cc2)[N+](=O)[O-])C#N
InChi [?]:
InChI=1/C16H13N3O5/c1-23-15-8-11(9-17)2-7-14(15)24-10-16(20)18-12-3-5-13(6-4-12)19(21)22/h2-8H,10H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,6,15,19,16,18,7,4,23,10,5,14,17,8,3,11,24,13,20,12,21,22,2,9/E:(3,4)(5,6)(21,22)/CRV:19.5/rA:24nCOCCCCCCOCCONCCCCCCN+OO-CN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s5;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3O5
All Atoms:37
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:1.4687
Area:552.073
Solvation:-12.3331
Coulombic:-47.5927
Bond Count [?]
All:25
Single:16
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:327.292
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.81
LogP (Chemaxon):2.39

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Descriptor Annotations

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