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Chemical ID: 7522285
Chemical ID:
7522285
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5ccc(cc5)F)C
InChi [?]:
InChI=1/C26H20FNO3/c1-3-16-5-7-17(8-6-16)23-22-24(29)20-14-15(2)4-13-21(20)31-25(22)26(30)28(23)19-11-9-18(27)10-12-19/h4-14,23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,16,4,8,5,7,26,28,25,29,17,14,15,3,6,27,24,13,18,10,9,11,20,21,30,23,12,22,19/E:(5,6)(7,8)(9,10)(11,12)/rA:31cCCCCCCCCCCCOCCCCCCOCCONCCCCCCFC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s20;d21;s9s21;s23;s24;d25;s26;d27;d24s28;s27;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20FNO3 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4206 |
Area: | 607.39 |
Solvation: | -3.76419 |
Coulombic: | -40.1729 |
Bond Count [?]
All: | 35 |
Single: | 23 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.49 |
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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