ChemDB: Chemical Search
Download
Chemical ID: 4518183
Chemical ID:
4518183
Name [?]:
1,3-diphenylurea
SMILES [?]:
c1ccc(cc1)NC(=O)Nc2ccccc2
InChi [?]:
InChI=1/C13H12N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,14,2,6,13,15,3,5,12,16,4,11,8,7,10,9/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(14,15)/rA:16nCCCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98666 |
Area: | 393.249 |
Solvation: | -1.84457 |
Coulombic: | -36.1636 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.247 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.48 |
LogP (Chemaxon): | 3.51 |
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 |
---|