ChemDB: Chemical Search
Download
Chemical ID: 6665179
Chemical ID:
6665179
Name [?]:
3-(2-chlorophenyl)-1-propyl-urea
SMILES [?]:
CCCNC(=O)Nc1ccccc1Cl
InChi [?]:
InChI=1/C10H13ClN2O/c1-2-7-12-10(14)13-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,12,9,3,13,8,5,14,4,7,6/rA:14nCCCNCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13ClN2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60757 |
Area: | 397.544 |
Solvation: | -1.33103 |
Coulombic: | -36.5567 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 212.676 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.32 |
LogP (Chemaxon): | 2.03 |
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 |
---|