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Chemical ID: 6511498
Chemical ID:
6511498
Name [?]:
2-(2,4-dimethylthiazol-5-yl)-1H-indole
SMILES [?]:
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
InChi [?]:
InChI=1/C13H12N2S/c1-8-13(16-9(2)14-8)12-7-10-5-3-4-6-11(10)15-12/h3-7,15H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,7,12,13,11,14,9,2,5,10,15,8,3,6,16,4/rA:16nCCCSCNCCCCCCCCCN/rB:s1;d2;s3;s4;s2d5;s5;s3;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.62556 |
Area: | 401.642 |
Solvation: | -1.41548 |
Coulombic: | -17.0713 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 228.314 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.7 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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