ChemDB: Chemical Search
Download
Chemical ID: 6507299
Chemical ID:
6507299
Name [?]:
(2-methyl-5-ureido-phenyl)urea
SMILES [?]:
Cc1ccc(cc1NC(=O)N)NC(=O)N
InChi [?]:
InChI=1/C9H12N4O2/c1-5-2-3-6(12-8(10)14)4-7(5)13-9(11)15/h2-4H,1H3,(H3,10,12,14)(H3,11,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,2,5,7,13,9,15,11,12,8,14,10/rA:15nCCCCCCCNCONNCON/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s5;s12;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N4O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.84939 |
Area: | 380.293 |
Solvation: | -2.65793 |
Coulombic: | -75.9684 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.217 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 6 |
XLogP: | -1.0 |
LogP (Chemaxon): | -0.03 |
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 |
---|