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Chemical ID: 4313143
Chemical ID:
4313143
Name [?]:
N-[3-(2,4,6-trichlorophenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1c(cc(cc1Cl)Cl)Cl
InChi [?]:
InChI=1/C13H18Cl3NO/c1-2-3-5-17-6-4-7-18-13-11(15)8-10(14)9-12(13)16/h8-9,17H,2-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,7,4,6,8,12,14,13,11,15,10,17,18,16,5,9/E:(8,9)(11,12)(15,16)/rA:18nCCCCNCCCOCCCCCCClClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;s11;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18Cl3NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0736 |
Area: | 532.01 |
Solvation: | -2.22668 |
Coulombic: | -18.73 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 310.646 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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