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Chemical ID: 4491364
Chemical ID:
4491364
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OC)Cc5ccc(cc5)F
InChi [?]:
InChI=1/C26H20FNO4/c1-15-6-11-21-20(12-15)24(29)22-23(17-4-3-5-19(13-17)31-2)28(26(30)25(22)32-21)14-16-7-9-18(27)10-8-16/h3-13,23H,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,18,20,3,27,31,28,30,4,7,22,25,2,26,17,29,21,6,5,10,16,8,11,13,32,15,9,14,23,12/E:(7,8)(9,10)/rA:32cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s15;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20FNO4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2383 |
Area: | 627.343 |
Solvation: | -5.44531 |
Coulombic: | -47.2275 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 429.44 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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