ChemDB: Chemical Search
Download
Chemical ID: 5037364
Chemical ID:
5037364
Name [?]:
9-propylpurin-6-amine
SMILES [?]:
CCCn1cnc2c1ncnc2N
InChi [?]:
InChI=1/C8H11N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,3,10,5,7,12,8,13,11,9,6,4/rA:13nCCCNCNCCNCNCN/rB:s1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H11N5 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08857 |
Area: | 344.223 |
Solvation: | -1.51701 |
Coulombic: | -39.8979 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.207 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 0.75 |
LogP (Chemaxon): | 0.82 |
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 |
---|