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Chemical ID: 6494500
Chemical ID:
6494500
Name [?]:
None
SMILES [?]:
Cc1nc2c3ccc4c(c3ccc2s1)nc(s4)C
InChi [?]:
InChI=1/C14H10N2S2/c1-7-15-13-9-4-6-12-14(16-8(2)18-12)10(9)3-5-11(13)17-7/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,11,6,12,7,2,16,5,10,13,8,4,9,3,15,14,17/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCNCCCCCCCCCCSNCSC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;d4s12;s2s13;s9;d15;s8s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2S2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.75319 |
Area: | 435.414 |
Solvation: | -1.13216 |
Coulombic: | -12.2493 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 270.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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