ChemDB: Chemical Search
Download
Chemical ID: 7729413
Chemical ID:
7729413
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)F
InChi [?]:
InChI=1/C19H14FN5O3/c1-28-15-7-5-12(6-8-15)16(26)10-24-11-21-18-17(19(24)27)22-23-25(18)14-4-2-3-13(20)9-14/h2-9,11H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,23,5,7,4,8,27,11,13,6,26,22,3,9,16,15,17,28,14,19,20,12,21,10,18,2/E:(5,6)(7,8)/rA:28nCOCCCCCCCOCNCNCCCONNNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14FN5O3 |
All Atoms: | 42 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.47945 |
Area: | 574.876 |
Solvation: | -5.89246 |
Coulombic: | -46.1726 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.87 |
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 |
---|