Chemical ID: 4664744

c1ccc(cc1)C2C(=O)Oc3ccc[nH+]c3S2
Chemical ID:
4664744
Name [?]:
8-phenyl-10-oxa-7-thia-5-azoniabicyclo[4.4.0]deca-2,4,11-trien-9-one
SMILES [?]:
c1ccc(cc1)C2C(=O)Oc3ccc[nH+]c3S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H10NO2S+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-26.0329
Area:397.262
Solvation:-35.9645
Coulombic:-8.98574
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:244.29
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.07
LogP (Chemaxon):2.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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