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Chemical ID: 6399008
Chemical ID:
6399008
Name [?]:
3-chloro-N-(3-chlorophenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C13H9Cl2NO/c14-10-4-1-3-9(7-10)13(17)16-12-6-2-5-11(15)8-12/h1-8H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,14,12,4,16,3,5,15,11,8,7,17,10,9/rA:17nCCCCCCClCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48565 |
Area: | 447.863 |
Solvation: | -1.71093 |
Coulombic: | -23.9045 |
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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