Chemical ID: 6497948

c1ccc(cc1)c2cc3cnsc3o2
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

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Descriptor Annotations

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