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Chemical ID: 7513337
Chemical ID:
7513337
Name [?]:
1-[3-(2,5-dichlorophenoxy)propyl]piperidine
SMILES [?]:
c1cc(c(cc1Cl)OCCCN2CCCCC2)Cl
InChi [?]:
InChI=1/C14H19Cl2NO/c15-12-5-6-13(16)14(11-12)18-10-4-9-17-7-2-1-3-8-17/h5-6,11H,1-4,7-10H2
InChi Info:
AuxInfo=1/0/N:15,14,16,10,1,2,13,17,11,9,5,6,3,4,7,18,12,8/E:(2,3)(7,8)/rA:18nCCCCCCClOCCCNCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19Cl2NO |
All Atoms: | 37 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.89929 |
Area: | 494.895 |
Solvation: | -2.4731 |
Coulombic: | -14.0463 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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