Chemical ID: 6660748

c1ccc2c(c1)Nc3c(cccn3)S2
Chemical ID:
6660748
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)Nc3c(cccn3)S2
InChi [?]:
InChI=1/C11H8N2S/c1-2-5-9-8(4-1)13-11-10(14-9)6-3-7-12-11/h1-7H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,11,6,3,10,12,5,4,9,8,13,7,14/rA:14nCCCCCCNCCCCCNS/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8N2S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.26289
Area:345.897
Solvation:-1.38452
Coulombic:-18.5196
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:200.261
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.26
LogP (Chemaxon):3.15

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Descriptor Annotations

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