ChemDB: Chemical Search
Download
Chemical ID: 4697705
Chemical ID:
4697705
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CCC4(C3)OCCO4
InChi [?]:
InChI=1/C14H15NO2/c1-2-4-12-10(3-1)11-9-14(16-7-8-17-14)6-5-13(11)15-12/h1-4,15H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,11,15,16,13,5,7,4,8,12,9,14,17/E:(7,8)(16,17)/rA:17nCCCCCCCCNCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65936 |
Area: | 386.362 |
Solvation: | -2.9997 |
Coulombic: | -28.1496 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 229.274 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.61 |
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 |
---|