Chemical ID: 4911097

c1cnc2c3cnc4c(c3nn2c1)ccs4
Chemical ID:
4911097
Name [?]:
None
SMILES [?]:
c1cnc2c3cnc4c(c3nn2c1)ccs4
InChi [?]:
InChI=1/C11H6N4S/c1-3-12-10-8-6-13-11-7(2-5-16-11)9(8)14-15(10)4-1/h1-6H
InChi Info:
AuxInfo=1/0/N:1,14,2,13,15,6,9,5,10,4,8,3,7,11,12,16/rA:16nCCNCCCNCCCNNCCCS/rB:s1;d2;s3;d4;s5;d6;s7;d8;s5s9;d10;s4s11;d1s12;s9;d14;s8s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6N4S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.35194
Area:374.565
Solvation:-2.01218
Coulombic:-15.549
Bond Count [?]
All:19
Single:12
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:226.258
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.59
LogP (Chemaxon):2.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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