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Chemical ID: 7090694
Chemical ID:
7090694
Name [?]:
2-(2-methylphenoxy)-1-piperazin-1-yl-ethanone
SMILES [?]:
Cc1ccccc1OCC(=O)N2CCNCC2
InChi [?]:
InChI=1/C13H18N2O2/c1-11-4-2-3-5-12(11)17-10-13(16)15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,14,16,13,17,9,2,7,10,15,12,11,8/E:(6,7)(8,9)/rA:17nCCCCCCCOCCONCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H18N2O2 |
All Atoms: | 35 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.50682 |
Area: | 423.336 |
Solvation: | -4.07656 |
Coulombic: | -32.3018 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 234.294 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.88 |
LogP (Chemaxon): | 0.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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