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Chemical ID: 7698563
Chemical ID:
7698563
Name [?]:
None
SMILES [?]:
COc1ccccc1OC(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C14H11FO3/c1-17-12-7-2-3-8-13(12)18-14(16)10-5-4-6-11(15)9-10/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,14,13,15,4,7,17,12,16,3,8,10,18,11,2,9/rA:18nCOCCCCCCOCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11FO3 |
All Atoms: | 29 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.91747 |
Area: | 417.861 |
Solvation: | -3.52906 |
Coulombic: | -32.5786 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.33 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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