Chemical ID: 4293613

CCCCNCCCOc1ccc(cc1Cl)Cl
Chemical ID:
4293613
Name [?]:
N-[3-(2,4-dichlorophenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO/c1-2-3-7-16-8-4-9-17-13-6-5-11(14)10-12(13)15/h5-6,10,16H,2-4,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,7,12,11,4,6,8,14,13,15,10,17,16,5,9/rA:17nCCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19Cl2NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.3018
Area:509.575
Solvation:-2.43759
Coulombic:-18.3433
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.202
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.5
LogP (Chemaxon):3.71

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Descriptor Annotations

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