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Chemical ID: 4083791
Chemical ID:
4083791
Name [?]:
methyl 2-[2-(2,4-dichlorophenoxy)acetyl]aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1NC(=O)COc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2NO4/c1-22-16(21)11-4-2-3-5-13(11)19-15(20)9-23-14-7-6-10(17)8-12(14)18/h2-8H,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,18,17,20,14,19,5,21,10,16,12,3,23,22,11,13,4,2,15/rA:23nCOCOCCCCCCNCOCOCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.27189 |
Area: | 555.818 |
Solvation: | -4.62355 |
Coulombic: | -48.8843 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.184 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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