ChemDB: Chemical Search
Download
Chemical ID: 4215523
Chemical ID:
4215523
Name [?]:
3-(1,1-dioxothiolan-3-yl)-1-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)NC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C11H14N2O3S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-17(15,16)8-10/h1-5,10H,6-8H2,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,17,4,11,8,7,10,9,15,16,14/E:(2,3)(4,5)(15,16)/CRV:17.6/rA:17cCCCCCCNCONCCCSOOC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;d14;s11s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.82776 |
Area: | 428.059 |
Solvation: | -3.87372 |
Coulombic: | -35.487 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 254.307 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.85 |
LogP (Chemaxon): | 0.13 |
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 |
---|