Chemical ID: 6646741

CCC(C(=O)NN=Cc1ccc(cc1)OCC(=O)O)Oc2ccc(cc2Cl)Cl
Chemical ID:
6646741
Name [?]:
2-[4-[2-(2,4-dichlorophenoxy)butanoylaminoiminomethyl]phenoxy]acetic acid
SMILES [?]:
CCC(C(=O)NN=Cc1ccc(cc1)OCC(=O)O)Oc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C19H18Cl2N2O5/c1-2-16(28-17-8-5-13(20)9-15(17)21)19(26)23-22-10-12-3-6-14(7-4-12)27-11-18(24)25/h3-10,16H,2,11H2,1H3,(H,23,26)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,10,14,23,11,13,22,25,8,16,9,24,12,26,3,21,17,4,28,27,7,6,18,19,5,15,20/E:(3,4)(6,7)(24,25)/rA:28cCCCCONNCCCCCCCOCCOOOCCCCCCClCl/rB:s1;s2;s3;d4;s4;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;s15;s16;d17;s17;s3;s20;s21;d22;s23;d24;d21s25;s26;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl2N2O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.73897
Area:652.904
Solvation:-7.58362
Coulombic:-60.8146
Bond Count [?]
All:29
Single:20
Double:9
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:425.262
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.1
LogP (Chemaxon):4.35

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Descriptor Annotations

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