ChemDB: Chemical Search
Download
Chemical ID: 7729438
Chemical ID:
7729438
Name [?]:
None
SMILES [?]:
CCCNC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)OC(F)(F)F
InChi [?]:
InChI=1/C16H15F3N6O3/c1-2-7-20-12(26)8-24-9-21-14-13(15(24)27)22-23-25(14)10-3-5-11(6-4-10)28-16(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,20,26)
InChi Info:
AuxInfo=1/1/N:1,2,19,23,20,22,3,7,9,18,21,5,12,11,13,25,26,27,28,4,10,15,16,8,17,6,14,24/E:(3,4)(5,6)(17,18,19)/rA:28nCCCNCOCNCNCCCONNNCCCCCCOCFFF/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15F3N6O3 |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4007 |
Area: | 577.82 |
Solvation: | -4.04484 |
Coulombic: | -80.0643 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.59 |
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 |
---|