Chemical ID: 5620225

Cc1nn2cc(nc2s1)Cl
Chemical ID:
5620225
Name [?]:
3-chloro-7-methyl-6-thia-1,4,8-triazabicyclo[3.3.0]octa-2,4,7-triene
SMILES [?]:
Cc1nn2cc(nc2s1)Cl
InChi [?]:
InChI=1/C5H4ClN3S/c1-3-8-9-2-4(6)7-5(9)10-3/h2H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,2,6,8,10,7,3,4,9/rA:10nCCNNCCNCSCl/rB:s1;d2;s3;s4;d5;s6;s4d7;s2s8;s6;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4ClN3S
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.84533
Area:316.934
Solvation:-1.07802
Coulombic:-11.7405
Bond Count [?]
All:11
Single:8
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:173.624
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.26
LogP (Chemaxon):1.73

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Descriptor Annotations

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