Chemical ID: 4684250

c1ccc2c(c1)nnn2Cc3csnn3
Chemical ID:
4684250
Name [?]:
1-(thiadiazol-4-ylmethyl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2Cc3csnn3
InChi [?]:
InChI=1/C9H7N5S/c1-2-4-9-8(3-1)11-12-14(9)5-7-6-15-13-10-7/h1-4,6H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,10,12,11,5,4,15,7,8,14,9,13/rA:15nCCCCCCNNNCCCSNN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N5S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.18806
Area:375.683
Solvation:-3.20401
Coulombic:-5.08691
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:217.252
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.44
LogP (Chemaxon):1.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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