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Chemical ID: 7116470
Chemical ID:
7116470
Name [?]:
3-(4-cyclohexylpiperazin-1-yl)propanoic acid
SMILES [?]:
C1CCC(CC1)N2CCN(CC2)CCC(=O)O
InChi [?]:
InChI=1/C13H24N2O2/c16-13(17)6-7-14-8-10-15(11-9-14)12-4-2-1-3-5-12/h12H,1-11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,13,9,11,8,12,4,15,10,7,16,17/E:(2,3)(4,5)(8,9)(10,11)(16,17)/rA:17nCCCCCCNCCNCCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H24N2O2 |
All Atoms: | 41 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61302 |
Area: | 433.708 |
Solvation: | -2.22968 |
Coulombic: | -35.8279 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 240.342 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.07 |
LogP (Chemaxon): | -1.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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