ChemDB: Chemical Search
Download
Chemical ID: 7678511
Chemical ID:
7678511
Name [?]:
None
SMILES [?]:
COC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)F
InChi [?]:
InChI=1/C13H10FN5O3/c1-22-10(20)6-18-7-15-12-11(13(18)21)16-17-19(12)9-4-2-8(14)3-5-9/h2-5,7H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,20,17,21,5,7,19,16,3,10,9,11,22,8,13,14,6,15,4,12,2/E:(2,3)(4,5)/rA:22nCOCOCNCNCCCONNNCCCCCCF/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;s6s10;d11;s10;d13;s9s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10FN5O3 |
All Atoms: | 32 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.43793 |
Area: | 473.602 |
Solvation: | -4.40212 |
Coulombic: | -49.0689 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.33 |
LogP (Chemaxon): | None |
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 |
---|