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Chemical ID: 5588481
Chemical ID:
5588481
Name [?]:
ethyl 2-(2,3-dichlorobenzoyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)c2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2NO3/c1-2-22-16(21)10-6-3-4-9-13(10)19-15(20)11-7-5-8-12(17)14(11)18/h3-9H,2H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,17,7,16,18,10,6,15,19,11,20,13,4,22,21,12,14,5,3/rA:22nCCOCOCCCCCCNCOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2NO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5708 |
Area: | 519.689 |
Solvation: | -2.4214 |
Coulombic: | -43.2373 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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