ChemDB: Chemical Search
Download
Chemical ID: 4947587
Chemical ID:
4947587
Name [?]:
N-(3-methoxypropyl)acridin-9-amine
SMILES [?]:
COCCCNc1c2ccccc2nc3c1cccc3
InChi [?]:
InChI=1/C17H18N2O/c1-20-12-6-11-18-17-13-7-2-4-9-15(13)19-16-10-5-3-8-14(16)17/h2-5,7-10H,6,11-12H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,10,18,11,19,4,9,17,12,20,5,3,8,16,13,15,7,6,14,2/E:(2,3)(4,5)(7,8)(9,10)(13,14)(15,16)/rA:20nCOCCCNCCCCCCCNCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s16;d17;s18;s15d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.64082 |
Area: | 470.786 |
Solvation: | -3.12883 |
Coulombic: | -26.715 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 266.338 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.29 |
LogP (Chemaxon): | 3.0 |
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 |
---|