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Chemical ID: 4210726
Chemical ID:
4210726
Name [?]:
3-chloro-N-(2-chlorophenyl)-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1Cl)C(=O)Nc2ccccc2Cl
InChi [?]:
InChI=1/C14H11Cl2NO2/c1-19-13-7-6-9(8-11(13)16)14(18)17-12-5-3-2-4-10(12)15/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,14,5,4,7,6,18,8,13,3,10,19,9,12,11,2/rA:19nCOCCCCCCClCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.91536 |
Area: | 475.292 |
Solvation: | -2.96694 |
Coulombic: | -30.7706 |
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): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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