ChemDB: Chemical Search
Download
Chemical ID: 7174827
Chemical ID:
7174827
Name [?]:
None
SMILES [?]:
Cc1cc(n(n1)Cc2ccc(o2)c3nc4c5cnn(c5ncn4n3)c6ccccc6)C
InChi [?]:
InChI=1/C22H18N8O/c1-14-10-15(2)28(26-14)12-17-8-9-19(31-17)20-25-22-18-11-24-30(16-6-4-3-5-7-16)21(18)23-13-29(22)27-20/h3-11,13H,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,28,27,29,26,30,9,10,3,17,7,22,2,4,25,8,16,11,13,20,15,21,18,14,6,24,5,23,19,12/E:(4,5)(6,7)/rA:31nCCCCNNCCCCCOCNCCCNNCNCNNCCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;s16;d17;s18;d16s19;s20;d21;s15s22;d13s23;s19;s25;d26;s27;d28;d25s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18N8O |
All Atoms: | 49 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9792 |
Area: | 640.531 |
Solvation: | -4.03409 |
Coulombic: | -34.4694 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 410.432 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.88 |
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 |
---|