ChemDB: Chemical Search
Download
Chemical ID: 4604156
Chemical ID:
4604156
Name [?]:
methyl 2-acridin-9-ylaminoacetate
SMILES [?]:
COC(=O)CNc1c2ccccc2nc3c1cccc3
InChi [?]:
InChI=1/C16H14N2O2/c1-20-15(19)10-17-16-11-6-2-4-8-13(11)18-14-9-5-3-7-12(14)16/h2-9H,10H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,18,11,19,9,17,12,20,5,8,16,13,15,3,7,6,14,4,2/E:(2,3)(4,5)(6,7)(8,9)(11,12)(13,14)/rA:20nCOCOCNCCCCCCCNCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.45348 |
Area: | 452.775 |
Solvation: | -2.86589 |
Coulombic: | -37.2845 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.68 |
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 |
---|