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Chemical ID: 4123437
Chemical ID:
4123437
Name [?]:
2-(4-chlorophenoxy)-1-piperazin-1-yl-ethanone
SMILES [?]:
c1cc(ccc1OCC(=O)N2CCNCC2)Cl
InChi [?]:
InChI=1/C12H15ClN2O2/c13-10-1-3-11(4-2-10)17-9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChi Info:
AuxInfo=1/0/N:2,4,1,5,13,15,12,16,8,3,6,9,17,14,11,10,7/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCOCCONCCNCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H15ClN2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.82775 |
Area: | 440.995 |
Solvation: | -4.19712 |
Coulombic: | -32.2047 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.712 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.28 |
LogP (Chemaxon): | 0.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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