ChemDB: Chemical Search
Download
Chemical ID: 5345747
Chemical ID:
5345747
Name [?]:
None
SMILES [?]:
Cc1c2c(n(n1)c3ccc(cc3)F)Oc4ccccc4N=C2
InChi [?]:
InChI=1/C17H12FN3O/c1-11-14-10-19-15-4-2-3-5-16(15)22-17(14)21(20-11)13-8-6-12(18)7-9-13/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,9,11,8,12,22,2,10,7,3,20,15,4,13,21,6,5,14/E:(6,7)(8,9)/rA:22nCCCCNNCCCCCCFOCCCCCCNC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;d7s11;s10;s4;s14;s15;d16;s17;d18;d15s19;s20;s3d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12FN3O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.33454 |
Area: | 454.026 |
Solvation: | -3.0161 |
Coulombic: | -23.6318 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 293.295 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.69 |
LogP (Chemaxon): | 3.84 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|