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Chemical ID: 6593874
Chemical ID:
6593874
Name [?]:
2-[1-[[4-[2-[1-(carboxymethyl)cyclohexyl]acetyl]piperazin-1-yl]carbonylmethyl]cyclohexyl]acetic acid
SMILES [?]:
C1CCC(CC1)(CC(=O)N2CCN(CC2)C(=O)CC3(CCCCC3)CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C24H38N2O6/c27-19(15-23(17-21(29)30)7-3-1-4-8-23)25-11-13-26(14-12-25)20(28)16-24(18-22(31)32)9-5-2-6-10-24/h1-18H2,(H,29,30)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,11,15,12,14,7,18,29,25,8,16,30,26,4,19,10,13,9,17,31,32,27,28/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30,31,32)/gE:(1,2)/rA:32nCCCCCCCCONCCNCCCOCCCCCCCCCOOCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s20;s21;s22;s19s23;s19;s25;d26;s26;s4;s29;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H38N2O6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2891 |
Area: | 660.049 |
Solvation: | -4.21213 |
Coulombic: | -84.0647 |
Bond Count [?]
All: | 34 |
Single: | 30 |
Double: | 4 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 450.568 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.65 |
LogP (Chemaxon): | 1.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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