ChemDB: Chemical Search
Download
Chemical ID: 5375442
Chemical ID:
5375442
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3nnnn3-c4ccccc4C2=O
InChi [?]:
InChI=1/C15H10N4O/c20-14-11-8-4-5-9-12(11)19-15(16-17-18-19)13(14)10-6-2-1-3-7-10/h1-9,13H
InChi Info:
AuxInfo=1/0/N:1,2,6,16,15,3,5,17,14,4,18,13,7,19,8,9,10,11,12,20/E:(2,3)(6,7)/rA:20cCCCCCCCCNNNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;s12;s13;d14;s15;d16;d13s17;s7s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10N4O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.30667 |
Area: | 424.073 |
Solvation: | -2.29516 |
Coulombic: | -14.5196 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 262.266 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.61 |
LogP (Chemaxon): | 2.33 |
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 |
---|