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Chemical ID: 6322941
Chemical ID:
6322941
Name [?]:
2,5-dichloro-N-(2,4-dichlorophenyl)-benzamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)NC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C13H7Cl4NO/c14-7-1-3-10(16)9(5-7)13(19)18-12-4-2-8(15)6-11(12)17/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:15,1,16,2,13,5,14,6,12,17,4,3,10,19,7,18,8,9,11/rA:19nCCCCCCClClNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl4NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.712 |
Area: | 499.429 |
Solvation: | -1.77369 |
Coulombic: | -23.6214 |
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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