Chemical ID: 6139776

Cc1ccc(cc1)Oc2c3ccsc3ncn2
Chemical ID:
6139776
Name [?]:
2-(4-methylphenoxy)-7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene
SMILES [?]:
Cc1ccc(cc1)Oc2c3ccsc3ncn2
InChi [?]:
InChI=1/C13H10N2OS/c1-9-2-4-10(5-3-9)16-12-11-6-7-17-13(11)15-8-14-12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,11,12,16,2,5,10,9,14,17,15,8,13/E:(2,3)(4,5)/rA:17nCCCCCCCOCCCCSCNCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d10s13;s14;d15;d9s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.6164
Area:410.076
Solvation:-1.63549
Coulombic:-21.1601
Bond Count [?]
All:19
Single:12
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:242.297
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.24
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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