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Chemical ID: 6636924
Chemical ID:
6636924
Name [?]:
3,5-dichloro-N-(p-tolyl)benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2cc(cc(c2)Cl)Cl
InChi [?]:
InChI=1/C14H11Cl2NO/c1-9-2-4-13(5-3-9)17-14(18)10-6-11(15)8-12(16)7-10/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,12,16,14,2,11,13,15,5,9,18,17,8,10/E:(2,3)(4,5)(6,7)(11,12)(15,16)/rA:18nCCCCCCCNCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93729 |
Area: | 470.38 |
Solvation: | -1.82221 |
Coulombic: | -23.155 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.149 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.67 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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