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Chemical ID: 5599412
Chemical ID:
5599412
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-[(4-hydroxyphenyl)methyleneamino]acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NN=Cc2ccc(cc2)O)Cl
InChi [?]:
InChI=1/C16H15ClN2O3/c1-11-8-13(17)4-7-15(11)22-10-16(21)19-18-9-12-2-5-14(20)6-3-12/h2-9,20H,10H2,1H3,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,16,20,5,17,19,6,3,14,9,2,15,4,18,7,10,22,13,12,21,11,8/E:(2,3)(5,6)/rA:22nCCCCCCCOCCONNCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0291 |
Area: | 533.915 |
Solvation: | -6.31879 |
Coulombic: | -41.6541 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.755 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.12 |
LogP (Chemaxon): | 3.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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