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Chemical ID: 4294953
Chemical ID:
4294953
Name [?]:
N-butyl-6-(2,4-dichlorophenoxy)-hexan-1-amine
SMILES [?]:
CCCCNCCCCCCOc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C16H25Cl2NO/c1-2-3-10-19-11-6-4-5-7-12-20-16-9-8-14(17)13-15(16)18/h8-9,13,19H,2-7,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,9,7,10,15,14,4,6,11,17,16,18,13,20,19,5,12/rA:20nCCCCNCCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25Cl2NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3598 |
Area: | 590.528 |
Solvation: | -2.40337 |
Coulombic: | -19.3491 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 318.281 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.58 |
LogP (Chemaxon): | 4.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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