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Chemical ID: 7266871
Chemical ID:
7266871
Name [?]:
2-(4-cyanophenoxy)-N-(2,5-dichlorophenyl)-acetamide
SMILES [?]:
c1cc(ccc1C#N)OCC(=O)Nc2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C15H10Cl2N2O2/c16-11-3-6-13(17)14(7-11)19-15(20)9-21-12-4-1-10(8-18)2-5-12/h1-7H,9H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,17,2,4,18,15,7,10,6,16,3,19,14,11,21,20,8,13,12,9/E:(1,2)(4,5)/rA:21nCCCCCCCNOCCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01788 |
Area: | 529.904 |
Solvation: | -4.22971 |
Coulombic: | -32.3614 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.158 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.64 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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