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Chemical ID: 5269102
Chemical ID:
5269102
Name [?]:
propyl 4-[7-cyclopropylcarbonyloxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)Oc2c(=O)c3ccc(cc3oc2C(F)(F)F)OC(=O)C4CC4
InChi [?]:
InChI=1/C24H19F3O7/c1-2-11-31-22(29)13-5-7-15(8-6-13)32-20-19(28)17-10-9-16(33-23(30)14-3-4-14)12-18(17)34-21(20)24(25,26)27/h5-10,12,14H,2-4,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,33,34,8,12,9,11,19,18,3,21,7,32,10,20,17,22,15,14,24,5,30,25,26,27,28,16,6,31,4,13,29,23/E:(3,4)(5,6)(7,8)(25,26,27)/rA:34nCCCOCOCCCCCCOCCOCCCCCCOCCFFFOCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;s25;s25;s25;s20;s29;d30;s30;s32;s32s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19F3O7 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1701 |
Area: | 684.445 |
Solvation: | -4.941 |
Coulombic: | -81.5061 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 476.399 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 5.13 |
LogP (Chemaxon): | 4.79 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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