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Chemical ID: 6762791
Chemical ID:
6762791
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C26H18FNO5/c1-14-6-8-19-17(10-14)24(29)22-23(16-4-2-3-5-18(16)27)28(26(30)25(22)33-19)12-15-7-9-20-21(11-15)32-13-31-20/h2-11,23H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,20,18,21,3,26,4,27,7,30,24,32,2,25,17,6,22,5,28,29,10,16,8,11,13,23,15,9,14,33,31,12/rA:33cCCCCCCCCOCCOCONCCCCCCCFCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s15;s24;s25;d26;s27;d28;d25s29;s29;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H18FNO5 |
All Atoms: | 51 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.84008 |
Area: | 622.98 |
Solvation: | -5.73443 |
Coulombic: | -55.6658 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 443.423 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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