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Chemical ID: 6393254
Chemical ID:
6393254
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-[1-(4-hydroxyphenyl)ethylideneamino]acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NN=C(C)c2ccc(cc2)O)Cl
InChi [?]:
InChI=1/C17H17ClN2O3/c1-11-9-14(18)5-8-16(11)23-10-17(22)20-19-12(2)13-3-6-15(21)7-4-13/h3-9,21H,10H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,15,17,21,5,18,20,6,3,9,2,14,16,4,19,7,10,23,13,12,22,11,8/E:(3,4)(6,7)/rA:23nCCCCCCCOCCONNCCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s14;s16;d17;s18;d19;d16s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17ClN2O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76296 |
Area: | 563.437 |
Solvation: | -6.32296 |
Coulombic: | -41.687 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.781 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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