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Chemical ID: 4555720
Chemical ID:
4555720
Name [?]:
None
SMILES [?]:
c1ccc(cc1)COC(=O)NCCCCCC(=O)Oc2ccc3c(c2)oc(=O)c4c3CCC4
InChi [?]:
InChI=1/C26H27NO6/c28-24(12-5-2-6-15-27-26(30)31-17-18-8-3-1-4-9-18)32-19-13-14-21-20-10-7-11-22(20)25(29)33-23(21)16-19/h1,3-4,8-9,13-14,16H,2,5-7,10-12,15,17H2,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,15,13,32,3,5,31,33,16,21,22,12,25,7,4,20,30,23,29,24,17,27,9,11,18,28,10,8,19,26/E:(3,4)(8,9)/rA:33nCCCCCCCOCONCCCCCCOOCCCCCCOCOCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;d27;s27;s23d29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27NO6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.1426 |
Area: | 739.158 |
Solvation: | -4.33639 |
Coulombic: | -72.0287 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 449.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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