Chemical ID: 6816261

Cc1cccc(c1)OCC(=O)NN=CC(=O)c2ccccc2
Chemical ID:
6816261
Name [?]:
2-(3-methylphenoxy)-N-phenacylideneamino-acetamide
SMILES [?]:
Cc1cccc(c1)OCC(=O)NN=CC(=O)c2ccccc2
InChi [?]:
InChI=1/C17H16N2O3/c1-13-6-5-9-15(10-13)22-12-17(21)19-18-11-16(20)14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,4,3,18,22,5,7,14,9,2,17,6,15,10,13,12,16,11,8/E:(3,4)(7,8)/rA:22nCCCCCCCOCCONNCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;w13;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16N2O3
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.72754
Area:525.737
Solvation:-5.41589
Coulombic:-36.1915
Bond Count [?]
All:23
Single:14
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:296.321
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):3.33

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