Chemical ID: 4910847

c1cc2c(nc1)Sc3cccnc3S2
Chemical ID:
4910847
Name [?]:
None
SMILES [?]:
c1cc2c(nc1)Sc3cccnc3S2
InChi [?]:
InChI=1/C10H6N2S2/c1-3-7-9(11-5-1)14-8-4-2-6-12-10(8)13-7/h1-6H
InChi Info:
AuxInfo=1/0/N:1,10,2,9,6,11,3,8,4,13,5,12,14,7/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:14nCCCCNCSCCCCNCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s3s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6N2S2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.30805
Area:355.522
Solvation:-1.58001
Coulombic:-12.041
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:218.3
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.06
LogP (Chemaxon):3.79

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Experimental Annotations

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Descriptor Annotations

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