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Chemical ID: 7513355
Chemical ID:
7513355
Name [?]:
1-[4-(2,3-dichlorophenoxy)butyl]piperidine
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCCCCN2CCCCC2
InChi [?]:
InChI=1/C15H21Cl2NO/c16-13-7-6-8-14(15(13)17)19-12-5-4-11-18-9-2-1-3-10-18/h6-8H,1-5,9-12H2
InChi Info:
AuxInfo=1/0/N:17,16,18,12,11,1,6,2,15,19,13,10,5,3,4,7,8,14,9/E:(2,3)(9,10)/rA:19nCCCCCCClClOCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21Cl2NO |
All Atoms: | 40 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4225 |
Area: | 513.649 |
Solvation: | -2.41871 |
Coulombic: | -14.6511 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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