ChemDB: Chemical Search
Download
Chemical ID: 7679144
Chemical ID:
7679144
Name [?]:
None
SMILES [?]:
CC(C(=O)OC)n1cnc2c(c1=O)nnn2c3cccc(c3)OC
InChi [?]:
InChI=1/C15H15N5O4/c1-9(15(22)24-3)19-8-16-13-12(14(19)21)17-18-20(13)10-5-4-6-11(7-10)23-2/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,6,19,18,20,22,8,2,17,21,11,10,12,3,9,14,15,7,16,13,4,23,5/rA:24cCCCOOCNCNCCCONNNCCCCCCOC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s9;d10;s7s11;d12;s11;d14;s10s15;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15N5O4 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.74823 |
Area: | 522.173 |
Solvation: | -4.3061 |
Coulombic: | -53.6553 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.61 |
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 |
---|