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Chemical ID: 5532755
Chemical ID:
5532755
Name [?]:
2,5-dichloro-N-(2,5-dichlorophenyl)-benzamide
SMILES [?]:
c1cc(c(cc1Cl)C(=O)Nc2cc(ccc2Cl)Cl)Cl
InChi [?]:
InChI=1/C13H7Cl4NO/c14-7-1-3-10(16)9(5-7)13(19)18-12-6-8(15)2-4-11(12)17/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,2,15,5,12,6,13,4,3,16,11,8,7,18,19,17,10,9/rA:19nCCCCCCClCONCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s13;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl4NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6062 |
Area: | 498.374 |
Solvation: | -1.85311 |
Coulombic: | -23.6083 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 335.012 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.48 |
LogP (Chemaxon): | 4.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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