Chemical ID: 4925100

c1ccc(cc1)c2nnc(o2)c3c4ccccc4sn3
Chemical ID:
4925100
Name [?]:
9-(5-phenyl-1,3,4-oxadiazol-2-yl)-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
c1ccc(cc1)c2nnc(o2)c3c4ccccc4sn3
InChi [?]:
InChI=1/C15H9N3OS/c1-2-6-10(7-3-1)14-16-17-15(19-14)13-11-8-4-5-9-12(11)20-18-13/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,15,16,3,5,14,17,4,13,18,12,7,10,8,9,20,11,19/E:(2,3)(6,7)/rA:20nCCCCCCCNNCOCCCCCCCSN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;d16;d13s17;s18;d12s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1324
Area:460.102
Solvation:-1.37014
Coulombic:-21.5892
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:279.318
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.08
LogP (Chemaxon):3.61

Name Annotations

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Descriptor Annotations

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