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Chemical ID: 6322954
Chemical ID:
6322954
Name [?]:
2,5-dichloro-N-phenyl-benzamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2cc(ccc2Cl)Cl
InChi [?]:
InChI=1/C13H9Cl2NO/c14-9-6-7-12(15)11(8-9)13(17)16-10-4-2-1-3-5-10/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,11,12,4,10,15,8,17,16,7,9/E:(2,3)(4,5)/rA:17nCCCCCCNCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.817 |
Area: | 436.292 |
Solvation: | -2.09029 |
Coulombic: | -23.0643 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.122 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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