Chemical ID: 4294657

CCCCNCCCCOc1cccc(c1Cl)Cl
Chemical ID:
4294657
Name [?]:
N-[4-(2,3-dichlorophenoxy)butyl]butan-1-amine
SMILES [?]:
CCCCNCCCCOc1cccc(c1Cl)Cl
InChi [?]:
InChI=1/C14H21Cl2NO/c1-2-3-9-17-10-4-5-11-18-13-8-6-7-12(15)14(13)16/h6-8,17H,2-5,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,7,8,13,14,12,4,6,9,15,11,16,18,17,5,10/rA:18nCCCCNCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21Cl2NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.8226
Area:525.658
Solvation:-2.31881
Coulombic:-19.0617
Bond Count [?]
All:18
Single:15
Double:3
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:290.228
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.86
LogP (Chemaxon):4.16

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Descriptor Annotations

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