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Chemical ID: 4191129
Chemical ID:
4191129
Name [?]:
5-chloro-N-(2,4-dichlorophenyl)-2-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1C(=O)Nc2ccc(cc2Cl)Cl)Cl
InChi [?]:
InChI=1/C14H10Cl3NO2/c1-20-13-5-3-8(15)6-10(13)14(19)18-12-4-2-9(16)7-11(12)17/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,5,13,4,7,16,6,15,8,17,12,3,9,20,19,18,11,10,2/rA:20nCOCCCCCCCONCCCCCCClClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s6;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl3NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18161 |
Area: | 505.589 |
Solvation: | -3.4581 |
Coulombic: | -29.3891 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 330.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.77 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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