ChemDB: Chemical Search
Download
Chemical ID: 7217977
Chemical ID:
7217977
Name [?]:
None
SMILES [?]:
Cn1c2c(cn1)c3nc(nn3cn2)c4cccc(c4)COc5ccc(cc5)Cl
InChi [?]:
InChI=1/C20H15ClN6O/c1-26-19-17(10-23-26)20-24-18(25-27(20)12-22-19)14-4-2-3-13(9-14)11-28-16-7-5-15(21)6-8-16/h2-10,12H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,24,26,23,27,19,5,20,12,18,14,25,22,4,9,3,7,28,13,6,8,10,2,11,21/E:(5,6)(7,8)/rA:28nCNCCCNCNCNNCNCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;s2d5;s4;d7;s8;d9;s7s10;s11;s3d12;s9;s14;d15;s16;d17;d14s18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15ClN6O |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.571 |
Area: | 613.661 |
Solvation: | -3.77052 |
Coulombic: | -31.4677 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.826 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.14 |
LogP (Chemaxon): | 4.29 |
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 |
---|