ChemDB: Chemical Search
Download
Chemical ID: 4923954
Chemical ID:
4923954
Name [?]:
4-fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-amine
SMILES [?]:
Cn1cc2ccccc2c1c3nc(nc(n3)F)N
InChi [?]:
InChI=1/C12H10FN5/c1-18-6-7-4-2-3-5-8(7)9(18)10-15-11(13)17-12(14)16-10/h2-6H,1H3,(H2,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,6,7,5,8,3,4,9,10,11,15,13,17,18,16,12,14,2/rA:18nCNCCCCCCCCCNCNCNFN/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;s2d9;s10;s11;d12;s13;d14;d11s15;s15;s13;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10FN5 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.41729 |
Area: | 394.421 |
Solvation: | -1.44324 |
Coulombic: | -49.1835 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 243.24 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.87 |
LogP (Chemaxon): | 2.12 |
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 |
---|