Chemical ID: 7725149

CCSc1ccc2nnc(n2n1)c3ccncc3
Chemical ID:
7725149
Name [?]:
None
SMILES [?]:
CCSc1ccc2nnc(n2n1)c3ccncc3
InChi [?]:
InChI=1/C12H11N5S/c1-2-18-11-4-3-10-14-15-12(17(10)16-11)9-5-7-13-8-6-9/h3-8H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,5,14,18,15,17,13,7,4,10,16,8,9,12,11,3/E:(5,6)(7,8)/rA:18nCCSCCCCNNCNNCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;s8;d9;s7s10;d4s11;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5S
All Atoms:29
Heavy Atoms:18
Chiral Atoms:None
ZAP Information [?]
Total:8.79876
Area:431.228
Solvation:-1.98194
Coulombic:-16.3854
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.96
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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