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Chemical ID: 4493568
Chemical ID:
4493568
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)OCC=C)Cc5ccc(cc5)F
InChi [?]:
InChI=1/C28H22FNO4/c1-3-13-33-21-6-4-5-19(15-21)25-24-26(31)22-14-17(2)7-12-23(22)34-27(24)28(32)30(25)16-18-8-10-20(29)11-9-18/h3-12,14-15,25H,1,13,16H2,2H3
InChi Info:
AuxInfo=1/0/N:26,1,25,19,18,20,3,29,33,30,32,4,24,7,22,27,2,28,17,31,21,6,5,10,16,8,11,13,34,15,9,14,23,12/E:(8,9)(10,11)/rA:34cCCCCCCCCOCCOCONCCCCCCCOCCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s24;d25;s15;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H22FNO4 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5422 |
Area: | 677.9 |
Solvation: | -5.40532 |
Coulombic: | -49.1881 |
Bond Count [?]
All: | 38 |
Single: | 25 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 455.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.26 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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