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Chemical ID: 6436116
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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Experimental Annotations
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Descriptor Annotations
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