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Chemical ID: 4291840
Chemical ID:
4291840
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C(=O)CC(O3)(C(F)(F)F)O
InChi [?]:
InChI=1/C14H9F3O3/c15-14(16,17)13(19)7-10(18)12-9-4-2-1-3-8(9)5-6-11(12)20-13/h1-6,19H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,13,5,4,11,9,10,14,16,17,18,19,12,20,15/E:(15,16,17)/rA:20cCCCCCCCCCCCOCCOCFFFO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s11;s13;s9s14;s14;s16;s16;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9F3O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.96523 |
Area: | 397.259 |
Solvation: | -2.96625 |
Coulombic: | -54.8914 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 282.215 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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