ChemDB: Chemical Search
Download
Chemical ID: 4619271
Chemical ID:
4619271
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-c3nc4ccccc4n3CC(=O)N2
InChi [?]:
InChI=1/C15H11N3O/c19-14-9-18-13-8-4-3-7-12(13)17-15(18)10-5-1-2-6-11(10)16-14/h1-8H,9H2,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,11,12,6,3,10,13,16,5,4,9,14,17,7,19,8,15,18/rA:19nCCCCCCCNCCCCCCNCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;s16;d17;s4s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11N3O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86674 |
Area: | 406.834 |
Solvation: | -2.3041 |
Coulombic: | -34.4958 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 249.267 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.29 |
LogP (Chemaxon): | 3.12 |
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 |
---|