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Chemical ID: 6399371
Chemical ID:
6399371
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-N-[(3,4-dichlorophenyl)methyleneamino]acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NN=Cc2ccc(c(c2)Cl)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl3N2O2/c1-10-6-12(17)3-5-15(10)23-9-16(22)21-20-8-11-2-4-13(18)14(19)7-11/h2-8H,9H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,5,17,6,3,20,14,9,2,15,4,18,19,7,10,23,22,21,13,12,11,8/rA:23nCCCCCCCOCCONNCCCCCCCClClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl3N2O2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.99305 |
Area: | 579.913 |
Solvation: | -5.50479 |
Coulombic: | -26.7218 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 371.645 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.77 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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