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Chemical ID: 4359560
Chemical ID:
4359560
Name [?]:
2-(4-chloro-3-methyl-phenoxy)-N-(4-chloro-3-nitro-phenyl)-acetamide
SMILES [?]:
Cc1cc(ccc1Cl)OCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C15H12Cl2N2O4/c1-9-6-11(3-5-12(9)16)23-8-15(20)18-10-2-4-13(17)14(7-10)19(21)22/h2-7H,8H2,1H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,15,5,16,6,3,19,10,2,14,4,7,17,18,11,8,23,13,20,12,21,22,9/E:(21,22)/CRV:19.5/rA:23nCCCCCCCClOCCONCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2N2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.05785 |
Area: | 546.671 |
Solvation: | -9.60893 |
Coulombic: | -38.8086 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.172 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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