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Chemical ID: 5554229
Chemical ID:
5554229
Name [?]:
3-chloro-N-(3-chlorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1Cl)C(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c1-19-13-6-5-9(7-12(13)16)14(18)17-11-4-2-3-10(15)8-11/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,5,4,7,18,6,17,13,8,3,10,19,9,12,11,2/rA:19nCOCCCCCCClCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.81406 |
Area: | 481.466 |
Solvation: | -3.22258 |
Coulombic: | -30.094 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 296.148 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.15 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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