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Chemical ID: 3963656
Chemical ID:
3963656
Name [?]:
4-piperazin-1-ylphenol
SMILES [?]:
c1cc(ccc1N2CCNCC2)O
InChi [?]:
InChI=1/C10H14N2O/c13-10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11,13H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,9,11,8,12,6,3,10,7,13/E:(1,2)(3,4)(5,6)(7,8)/rA:13nCCCCCCNCCNCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s7s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.09485 |
Area: | 339.294 |
Solvation: | -2.38751 |
Coulombic: | -30.9116 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 178.231 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.23 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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