Chemical ID: 4913926

c1ccc2c(c1)-n3cnnc3CCS2
Chemical ID:
4913926
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)-n3cnnc3CCS2
InChi [?]:
InChI=1/C10H9N3S/c1-2-4-9-8(3-1)13-7-11-12-10(13)5-6-14-9/h1-4,7H,5-6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,12,13,8,5,4,11,9,10,7,14/rA:14nCCCCCCNCNNCCCS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s11;s12;s4s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3S
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.66062
Area:341.939
Solvation:-1.88785
Coulombic:-10.3004
Bond Count [?]
All:16
Single:11
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:203.265
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.45
LogP (Chemaxon):0.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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