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Chemical ID: 5762318
Chemical ID:
5762318
Name [?]:
4-chloro-N-(2,5-dichlorophenyl)-3-nitro-benzamide
SMILES [?]:
c1cc(c(cc1C(=O)Nc2cc(ccc2Cl)Cl)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C13H7Cl3N2O3/c14-8-2-4-9(15)11(6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,13,2,14,5,11,6,12,15,3,10,4,7,17,16,21,9,18,8,19,20/E:(20,21)/CRV:18.5/rA:21nCCCCCCCONCCCCCCClClN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;s4;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl3N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.03686 |
Area: | 513.501 |
Solvation: | -7.80067 |
Coulombic: | -32.6682 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 345.564 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.63 |
LogP (Chemaxon): | 3.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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