ChemDB: Chemical Search
Download
Chemical ID: 6672885
Chemical ID:
6672885
Name [?]:
1,1,3-triphenylurea
SMILES [?]:
c1ccc(cc1)NC(=O)N(c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C19H16N2O/c22-19(20-16-10-4-1-5-11-16)21(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,14,20,2,6,13,15,19,21,3,5,12,16,18,22,4,11,17,8,7,10,9/E:(2,3)(4,5)(6,7,8,9)(10,11)(12,13,14,15)(17,18)/rA:22nCCCCCCNCONCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s10;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3938 |
Area: | 490.592 |
Solvation: | -1.87105 |
Coulombic: | -33.6331 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 288.343 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.19 |
LogP (Chemaxon): | 4.96 |
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 |
---|