ChemDB: Chemical Search
Download
Chemical ID: 4016208
Chemical ID:
4016208
Name [?]:
4-(4-isopropylphenyl)sulfonylmorpholine
SMILES [?]:
CC(C)c1ccc(cc1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C13H19NO3S/c1-11(2)12-3-5-13(6-4-12)18(15,16)14-7-9-17-10-8-14/h3-6,11H,7-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,5,9,6,8,14,18,15,17,2,4,7,13,11,12,16,10/E:(1,2)(3,4)(5,6)(7,8)(9,10)(15,16)/CRV:18.6/rA:18nCCCCCCCCCSOONCCOCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;d10;s10;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.23715 |
Area: | 444.438 |
Solvation: | -2.8738 |
Coulombic: | -16.8834 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 269.361 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.02 |
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 |
---|