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Chemical ID: 5270985
Chemical ID:
5270985
Name [?]:
None
SMILES [?]:
c1cc(oc1)CN2C(c3c(=O)c4cc(ccc4oc3C2=O)F)c5ccc(cc5)OCC(=O)N
InChi [?]:
InChI=1/C24H17FN2O6/c25-14-5-8-18-17(10-14)22(29)20-21(13-3-6-15(7-4-13)32-12-19(26)28)27(24(30)23(20)33-18)11-16-2-1-9-31-16/h1-10,21H,11-12H2,(H2,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,24,28,15,25,27,16,5,13,6,30,23,14,26,3,12,17,31,9,8,10,19,20,22,33,7,32,11,21,4,29,18/E:(3,4)(6,7)/rA:33cCCCOCCNCCCOCCCCCCOCCOFCCCCCCOCCON/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17FN2O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.56172 |
Area: | 616.744 |
Solvation: | -8.85688 |
Coulombic: | -74.8737 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 448.4 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.56 |
LogP (Chemaxon): | 1.94 |
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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