Chemical ID: 4670685

c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
Chemical ID:
4670685
Name [?]:
1-(9-thia-8-azabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-ylsulfanylmethyl)benzotriazole
SMILES [?]:
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
InChi [?]:
InChI=1/C14H10N4S2/c1-4-8-13-10(5-1)14(16-20-13)19-9-18-12-7-3-2-6-11(12)15-17-18/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,16,15,2,6,17,14,3,11,5,18,13,4,7,19,8,20,12,10,9/rA:20nCCCCCCCNSSCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s12d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N4S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.99005
Area:476.99
Solvation:-1.93471
Coulombic:-11.1398
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.388
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.31
LogP (Chemaxon):4.8

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