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Chemical ID: 4904482
Chemical ID:
4904482
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCCOC(C)C)c4ccccc4F
InChi [?]:
InChI=1/C25H26FNO4/c1-14(2)30-11-7-10-27-22(17-8-5-6-9-19(17)26)21-23(28)18-12-15(3)16(4)13-20(18)31-24(21)25(27)29/h5-6,8-9,12-14,22H,7,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:23,24,1,8,27,28,19,26,29,18,20,3,6,22,2,7,25,4,30,5,11,14,12,10,16,31,15,13,17,21,9/E:(1,2)/rA:31cCCCCCCCCOCCCOCNCOCCCOCCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;s21;s22;s22;s14;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26FNO4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7644 |
Area: | 648.29 |
Solvation: | -5.44284 |
Coulombic: | -46.526 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 423.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.51 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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