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Chemical ID: 5846337
Chemical ID:
5846337
Name [?]:
1-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-indole
SMILES [?]:
Cc1nnc(s1)c2cc3ccccc3n2C
InChi [?]:
InChI=1/C12H11N3S/c1-8-13-14-12(16-8)11-7-9-5-3-4-6-10(9)15(11)2/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,11,12,10,13,8,2,9,14,7,5,3,4,15,6/rA:16nCCNNCSCCCCCCCCNC/rB:s1;d2;s3;d4;s2s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H11N3S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.39574 |
Area: | 398.1 |
Solvation: | -1.55677 |
Coulombic: | -11.2831 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 229.302 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 3.54 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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