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Chemical ID: 4367856
Chemical ID:
4367856
Name [?]:
2,3-dichloro-N-(3,4-dichlorophenyl)-benzamide
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H7Cl4NO/c14-9-5-4-7(6-11(9)16)18-13(19)8-2-1-3-10(15)12(8)17/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,17,12,3,15,5,16,4,9,19,7,18,8,11,10/rA:19nCCCCCCClClCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl4NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0568 |
Area: | 490.573 |
Solvation: | -2.20749 |
Coulombic: | -23.2659 |
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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