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Chemical ID: 7116538
Chemical ID:
7116538
Name [?]:
2-methyl-5-piperazin-1-yl-aniline
SMILES [?]:
Cc1ccc(cc1N)N2CCNCC2
InChi [?]:
InChI=1/C11H17N3/c1-9-2-3-10(8-11(9)12)14-6-4-13-5-7-14/h2-3,8,13H,4-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,11,13,10,14,6,2,5,7,8,12,9/E:(4,5)(6,7)/rA:14nCCCCCCCNNCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3 |
All Atoms: | 31 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31198 |
Area: | 361.057 |
Solvation: | -1.71445 |
Coulombic: | -31.3768 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.273 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.04 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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