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Chemical ID: 5766494
Chemical ID:
5766494
Name [?]:
2-[2-[[2-(2,5-dichlorophenoxy)acetyl]aminoiminomethyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)COc2cc(ccc2Cl)Cl)OCC(=O)O
InChi [?]:
InChI=1/C17H14Cl2N2O5/c18-12-5-6-13(19)15(7-12)25-9-16(22)21-20-8-11-3-1-2-4-14(11)26-10-17(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,18,15,7,12,23,5,16,19,4,14,10,24,21,20,8,9,11,25,26,13,22/E:(23,24)/rA:26nCCCCCCCNNCOCOCCCCCCClClOCCOO/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s16;s4;s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14Cl2N2O5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.30186 |
Area: | 623.681 |
Solvation: | -8.29017 |
Coulombic: | -59.6723 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 397.209 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 4.22 |
LogP (Chemaxon): | 3.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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