ChemDB: Chemical Search
Download
Chemical ID: 4998332
Chemical ID:
4998332
Name [?]:
9,10-dihydroacridine
SMILES [?]:
c1ccc2c(c1)Cc3ccccc3N2
InChi [?]:
InChI=1/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,7,5,8,4,13,14/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/rA:14nCCCCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.29812 |
Area: | 338.861 |
Solvation: | -1.17341 |
Coulombic: | -13.1464 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 181.233 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.35 |
LogP (Chemaxon): | 3.33 |
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 |
---|