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Chemical ID: 7686244
Chemical ID:
7686244
Name [?]:
None
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc3c(c2)[nH]cn3)F
InChi [?]:
InChI=1/C14H10FN3O/c15-10-3-1-2-4-11(10)18-14(19)9-5-6-12-13(7-9)17-8-16-12/h1-8H,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,15,17,10,4,5,13,14,8,19,18,16,7,9/rA:19nCCCCCCNCOCCCCCCNCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;s16;s13d17;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10FN3O |
All Atoms: | 29 |
Heavy Atoms: | 19 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.69842 |
Area: | 423.54 |
Solvation: | -2.89009 |
Coulombic: | -42.1446 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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