Chemical ID: 7007731

CN1CCN(CC1)S(=O)(=O)c2ccccc2C#N
Chemical ID:
7007731
Name [?]:
2-(4-methylpiperazin-1-yl)sulfonylbenzonitrile
SMILES [?]:
CN1CCN(CC1)S(=O)(=O)c2ccccc2C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H15N3O2S
All Atoms:33
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.5987
Area:408.978
Solvation:-2.62575
Coulombic:-15.4816
Bond Count [?]
All:19
Single:13
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:265.333
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.48
LogP (Chemaxon):0.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue