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Chemical ID: 6322942
Chemical ID:
6322942
Name [?]:
2,5-dichloro-N-(2,4,5-trichlorophenyl)-benzamide
SMILES [?]:
c1cc(c(cc1Cl)C(=O)Nc2cc(c(cc2Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C13H6Cl5NO/c14-6-1-2-8(15)7(3-6)13(20)19-12-5-10(17)9(16)4-11(12)18/h1-5H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,5,15,12,6,4,3,14,13,16,11,8,7,20,18,19,17,10,9/rA:20nCCCCCCClCONCCCCCCClClClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H6Cl5NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2377 |
Area: | 526.209 |
Solvation: | -1.91755 |
Coulombic: | -23.3162 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 369.456 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.1 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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