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Chemical ID: 6376851
Chemical ID:
6376851
Name [?]:
2,5-dichloro-N-(3,4-dichlorophenyl)-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2cc(ccc2Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C13H7Cl4NO/c14-7-1-3-10(15)9(5-7)13(19)18-8-2-4-11(16)12(17)6-8/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:13,1,14,2,11,5,12,6,10,15,3,4,8,17,16,19,18,7,9/rA:19nCCCCCCNCOCCCCCCClClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl4NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.322 |
Area: | 497.8 |
Solvation: | -2.12303 |
Coulombic: | -23.0946 |
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): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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