ChemDB: Chemical Search
Download
Chemical ID: 5168385
Chemical ID:
5168385
Name [?]:
None
SMILES [?]:
c1c(cc2c3c1CCCN3CCC2)C=O
InChi [?]:
InChI=1/C13H15NO/c15-9-10-7-11-3-1-5-14-6-2-4-12(8-10)13(11)14/h7-9H,1-6H2
InChi Info:
AuxInfo=1/0/N:8,12,7,13,9,11,1,3,14,2,6,4,5,10,15/E:(1,2)(3,4)(5,6)(7,8)(11,12)/rA:15cCCCCCCCCCNCCCCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s5s9;s10;s11;s4s12;s2;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.36416 |
Area: | 357.956 |
Solvation: | -2.58473 |
Coulombic: | -13.1347 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 201.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.34 |
LogP (Chemaxon): | 2.74 |
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 |
---|