Chemical ID: 6436116

C=CCNCCCOc1c(cc(cc1Cl)Cl)Cl
Chemical ID:
6436116
Name [?]:
N-[3-(2,4,6-trichlorophenoxy)propyl]prop-2-en-1-amine
SMILES [?]:
C=CCNCCCOc1c(cc(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C12H14Cl3NO/c1-2-4-16-5-3-6-17-12-10(14)7-9(13)8-11(12)15/h2,7-8,16H,1,3-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,11,13,12,10,14,9,16,17,15,4,8/E:(7,8)(10,11)(14,15)/rA:17nCCCNCCCOCCCCCCClClCl/rB:d1;s2;s3;s4;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;s10;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14Cl3NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.2202
Area:501.058
Solvation:-2.30629
Coulombic:-19.5232
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:294.604
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):3.76

Name Annotations

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Descriptor Annotations

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