Chemical ID: 4313143

CCCCNCCCOc1c(cc(cc1Cl)Cl)Cl
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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Descriptor Annotations

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