ChemDB: Chemical Search
Download
Chemical ID: 4508819
Chemical ID:
4508819
Name [?]:
2-acridin-9-ylaminoacetic acid
SMILES [?]:
c1ccc2c(c1)c(c3ccccc3n2)NCC(=O)O
InChi [?]:
InChI=1/C15H12N2O2/c18-14(19)9-16-15-10-5-1-3-7-12(10)17-13-8-4-2-6-11(13)15/h1-8H,9H2,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,2,11,6,9,3,12,16,5,8,4,13,17,7,15,14,18,19/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)(18,19)/rA:19nCCCCCCCCCCCCCNNCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d11;d8s12;d4s13;s7;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86326 |
Area: | 426.994 |
Solvation: | -2.81159 |
Coulombic: | -45.0375 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.268 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.51 |
LogP (Chemaxon): | 0.84 |
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 |
---|