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Chemical ID: 7722046
Chemical ID:
7722046
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCN4CCOCC4)c5ccc(cc5)F
InChi [?]:
InChI=1/C26H27FN2O4/c1-16-14-20-21(15-17(16)2)33-25-22(24(20)30)23(18-4-6-19(27)7-5-18)29(26(25)31)9-3-8-28-10-12-32-13-11-28/h4-7,14-15,23H,3,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,19,28,32,29,31,20,18,22,26,23,25,3,6,2,7,27,30,4,5,11,14,12,10,16,33,21,15,13,17,24,9/E:(4,5)(6,7)(10,11)(12,13)/rA:33cCCCCCCCCOCCCOCNCOCCCNCCOCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s22;s23;s24;s21s25;s14;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27FN2O4 |
All Atoms: | 60 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6438 |
Area: | 653.409 |
Solvation: | -5.6914 |
Coulombic: | -51.6328 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.27 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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