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Chemical ID: 6378776
Chemical ID:
6378776
Name [?]:
2-(4-chloro-2-methyl-phenoxy)-1-(1-piperidyl)propan-1-one
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)N2CCCCC2)Cl
InChi [?]:
InChI=1/C15H20ClNO2/c1-11-10-13(16)6-7-14(11)19-12(2)15(18)17-8-4-3-5-9-17/h6-7,10,12H,3-5,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,16,15,17,5,6,14,18,3,2,9,4,7,11,19,13,12,8/E:(4,5)(8,9)/rA:19cCCCCCCCOCCCONCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;s14;s15;s16;s13s17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.40975 |
Area: | 470.931 |
Solvation: | -3.36352 |
Coulombic: | -25.2006 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 281.778 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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