Chemical ID: 4478509

c1cc2c(cc1CNC(=O)COc3cc(c(cc3Cl)Cl)Cl)OCO2
Chemical ID:
4478509
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(2,4,5-trichlorophenoxy)-acetamide
SMILES [?]:
c1cc2c(cc1CNC(=O)COc3cc(c(cc3Cl)Cl)Cl)OCO2
InChi [?]:
InChI=1/C16H12Cl3NO4/c17-10-4-12(19)14(5-11(10)18)22-7-16(21)20-6-9-1-2-13-15(3-9)24-8-23-13/h1-5H,6-8H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,5,17,14,7,11,23,6,16,15,18,3,13,4,9,20,21,19,8,10,12,24,22/rA:24nCCCCCCCNCOCOCCCCCCClClClOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s15;s4;s22;s3s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl3NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.82496
Area:587.775
Solvation:-5.86942
Coulombic:-44.9042
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.629
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.44
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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