Chemical ID: 5796331

c1ccc(c(c1)C(=O)Oc2cccc(c2)C=NNC(=O)COc3ccc(cc3Cl)Cl)Cl
Chemical ID:
5796331
Name [?]:
[3-[[2-(2,4-dichlorophenoxy)acetyl]aminoiminomethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)Oc2cccc(c2)C=NNC(=O)COc3ccc(cc3Cl)Cl)Cl
InChi [?]:
InChI=1/C22H15Cl3N2O4/c23-15-8-9-20(19(25)11-15)30-13-21(28)27-26-12-14-4-3-5-16(10-14)31-22(29)17-6-1-2-7-18(17)24/h1-12H,13H2,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,3,25,24,15,27,16,21,14,26,10,5,4,28,23,19,7,30,31,29,17,18,20,8,22,9/rA:31nCCCCCCCOOCCCCCCCNNCOCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s28;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15Cl3N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.1875
Area:716.813
Solvation:-6.73285
Coulombic:-46.6778
Bond Count [?]
All:33
Single:21
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:477.724
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.04
LogP (Chemaxon):5.8

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