ChemDB: Chemical Search
Download
Chemical ID: 5733610
Chemical ID:
5733610
Name [?]:
3-(1-adamantyl)-1-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C17H22N2O/c20-16(18-15-4-2-1-3-5-15)19-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H2,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,17,19,16,12,20,15,13,18,4,8,11,7,10,9/E:(2,3)(4,5)(6,7,8)(9,10,11)(12,13,14)/rA:20nCCCCCCNCONCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N2O |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.39721 |
Area: | 435.256 |
Solvation: | -1.48418 |
Coulombic: | -36.5289 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 270.369 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.07 |
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 |
---|