Chemical ID: 4925113

Cc1cc(n(n1)c2c3ccccc3sn2)C
Chemical ID:
4925113
Name [?]:
9-(3,5-dimethylpyrazol-1-yl)-7-thia-8-azabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
Cc1cc(n(n1)c2c3ccccc3sn2)C
InChi [?]:
InChI=1/C12H11N3S/c1-8-7-9(2)15(13-8)12-10-5-3-4-6-11(10)16-14-12/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,10,11,9,12,3,2,4,8,13,7,6,15,5,14/rA:16nCCCCNNCCCCCCCSNC/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N3S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.31106
Area:389.461
Solvation:-1.42547
Coulombic:-9.49093
Bond Count [?]
All:18
Single:12
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.302
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.18
LogP (Chemaxon):2.9

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