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Chemical ID: 7967945
Chemical ID:
7967945
Name [?]:
2-(p-tolyl)piperazine
SMILES [?]:
Cc1ccc(cc1)C2CNCCN2
InChi [?]:
InChI=1/C11H16N2/c1-9-2-4-10(5-3-9)11-8-12-6-7-13-11/h2-5,11-13H,6-8H2,1H3/t11-/m0/s1
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,12,9,2,5,8,10,13/E:(2,3)(4,5)/it:im/rA:13cCCCCCCCCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s8s12;/rC:-.0184,1.5028,.0103;.0021,-.0041,.002;.0057,-.6887,-1.1989;.0245,-2.0709,-1.2065;.04,-2.7685,-.0132;.0373,-2.0839,1.1877;.0229,-.7016,1.1953;.0595,-4.2753,-.0215;-1.3533,-4.8039,.2294;-1.353,-6.2699,.1511;-.451,-6.7528,1.204;.9617,-6.2241,.9531;.9614,-4.7582,1.0314;
Chemical Details
Atom Count
Formula: | C10H12F3NO |
All Atoms: | 29 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.55973 |
Area: | 348.497 |
Solvation: | -1.15269 |
Coulombic: | -18.8965 |
Bond Count [?]
All: | 30 |
Single: | 27 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 176.258 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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