Chemical ID: 4596088

c1ccc(cc1)C(=O)CSc2c(cc3c(n2)CCC3)C#N
Chemical ID:
4596088
Name [?]:
4-phenacylsulfanyl-5-azabicyclo[4.3.0]nona-2,4,10-triene-3-carbonitrile
SMILES [?]:
c1ccc(cc1)C(=O)CSc2c(cc3c(n2)CCC3)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.7836
Area:505.63
Solvation:-2.85715
Coulombic:-17.9335
Bond Count [?]
All:23
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.372
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.73
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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