ChemDB: Chemical Search
Download
Chemical ID: 7706751
Chemical ID:
7706751
Name [?]:
None
SMILES [?]:
COc1cccc(c1)N=Nc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
InChi [?]:
InChI=1/C16H15N5O3/c1-24-10-5-2-4-9(8-10)18-19-13-14-17-12-7-3-6-11(12)16(23)21(14)20-15(13)22/h2,4-5,8,17H,3,6-7H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,23,6,4,22,24,8,7,3,15,14,11,12,20,16,13,9,10,19,18,21,17,2/rA:24nCOCCCCCCNNCCNCCCONNCOCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;s13;d14;s15;d16;s12s16;s18;s11s19;d20;s15;s22;s14s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N5O3 |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.24142 |
Area: | 517.154 |
Solvation: | -3.68742 |
Coulombic: | -55.5356 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.36 |
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 |
---|