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Chemical ID: 6497948
Chemical ID:
6497948
Name [?]:
7-phenyl-6-oxa-4-thia-3-azabicyclo[3.3.0]octa-2,7,9-triene
SMILES [?]:
c1ccc(cc1)c2cc3cnsc3o2
InChi [?]:
InChI=1/C11H7NOS/c1-2-4-8(5-3-1)10-6-9-7-12-14-11(9)13-10/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,10,4,9,7,13,11,14,12/E:(2,3)(4,5)/rA:14nCCCCCCCCCCNSCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d9s12;s7s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H7NOS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26139 |
Area: | 364.062 |
Solvation: | -1.84015 |
Coulombic: | -12.8197 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 201.245 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.91 |
LogP (Chemaxon): | 2.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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