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Chemical ID: 7396478
Chemical ID:
7396478
Name [?]:
None
SMILES [?]:
Cc1cc(c2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)CCc5ccc(cc5)OC)C
InChi [?]:
InChI=1/C28H24FNO4/c1-16-14-17(2)26-21(15-16)25(31)23-24(20-6-4-5-7-22(20)29)30(28(32)27(23)34-26)13-12-18-8-10-19(33-3)11-9-18/h4-11,14-15,24H,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,33,19,20,18,21,27,31,28,30,25,24,3,7,2,4,26,29,17,6,22,10,16,8,5,11,13,23,15,9,14,32,12/E:(8,9)(10,11)/rA:34cCCCCCCCCOCCOCONCCCCCCCFCCCCCCCCOCC/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;s26;d27;s28;d29;d26s30;s29;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H24FNO4 |
All Atoms: | 58 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3588 |
Area: | 672.924 |
Solvation: | -5.46434 |
Coulombic: | -47.1581 |
Bond Count [?]
All: | 38 |
Single: | 26 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 457.493 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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