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Chemical ID: 4293921
Chemical ID:
4293921
Name [?]:
N-butyl-5-(2,3-dichlorophenoxy)-pentan-1-amine
SMILES [?]:
CCCCNCCCCCOc1cccc(c1Cl)Cl
InChi [?]:
InChI=1/C15H23Cl2NO/c1-2-3-10-18-11-5-4-6-12-19-14-9-7-8-13(16)15(14)17/h7-9,18H,2-6,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,8,7,9,14,15,13,4,6,10,16,12,17,19,18,5,11/rA:19nCCCCNCCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23Cl2NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4626 |
Area: | 555.553 |
Solvation: | -2.42621 |
Coulombic: | -19.2927 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 304.255 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.22 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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