Chemical ID: 6808079

Cc1c(cccc1Cl)NC(=S)N(C2CCCCC2)C(C)c3ccc[nH+]c3
Chemical ID:
6808079
Name [?]:
3-(3-chloro-2-methyl-phenyl)-1-cyclohexyl-1-[1-(1H-pyridin-5-yl)ethyl]thiourea
SMILES [?]:
Cc1c(cccc1Cl)NC(=S)N(C2CCCCC2)C(C)c3ccc[nH+]c3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H27ClN3S+
All Atoms:53
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:-18.9656
Area:566.485
Solvation:-33.1277
Coulombic:-14.3709
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:388.978
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.91
LogP (Chemaxon):5.13

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