ChemDB: Chemical Search
Download
Chemical ID: 4456647
Chemical ID:
4456647
Name [?]:
[4-(2-naphthyloxymethyl)phenyl]-(1-piperidyl)methanone
SMILES [?]:
c1ccc2cc(ccc2c1)OCc3ccc(cc3)C(=O)N4CCCCC4
InChi [?]:
InChI=1/C23H23NO2/c25-23(24-14-4-1-5-15-24)20-10-8-18(9-11-20)17-26-22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16H,1,4-5,14-15,17H2
InChi Info:
AuxInfo=1/0/N:24,1,2,23,25,10,3,14,18,15,17,8,7,22,26,5,12,13,9,16,4,6,19,21,20,11/E:(4,5)(8,9)(10,11)(14,15)/rA:26nCCCCCCCCCCOCCCCCCCCONCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8199 |
Area: | 568.934 |
Solvation: | -3.4035 |
Coulombic: | -28.0124 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 345.434 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.32 |
LogP (Chemaxon): | 4.44 |
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 |
---|