Chemical ID: 5376198

c1ccc2c(c1)cccc2Cc3nnc(n3C4CCCCC4)SCC#N
Chemical ID:
5376198
Name [?]:
2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
SMILES [?]:
c1ccc2c(c1)cccc2Cc3nnc(n3C4CCCCC4)SCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.7511
Area:566.727
Solvation:-2.41705
Coulombic:-17.0135
Bond Count [?]
All:29
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:362.492
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.19
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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