Chemical ID: 5222356

CNc1c2c(c3ccccc3s2)nnn1
Chemical ID:
5222356
Name [?]:
None
SMILES [?]:
CNc1c2c(c3ccccc3s2)nnn1
InChi [?]:
InChI=1/C10H8N4S/c1-11-10-9-8(12-14-13-10)6-4-2-3-5-7(6)15-9/h2-5H,1H3,(H,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,6,11,5,4,3,2,13,15,14,12/rA:15nCNCCCCCCCCCSNNN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s5;d13;d3s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.2397
Area:372.59
Solvation:-1.07506
Coulombic:-17.5449
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:216.263
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.69
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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