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Chemical ID: 4926473
Chemical ID:
4926473
Name [?]:
1-methyl-5-(2-thienyl)-2,3-bis(3-thienyl)pyrrole
SMILES [?]:
Cn1c(cc(c1c2ccsc2)c3ccsc3)c4cccs4
InChi [?]:
InChI=1/C17H13NS3/c1-18-15(16-3-2-6-21-16)9-14(12-4-7-19-10-12)17(18)13-5-8-20-11-13/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,13,8,20,14,9,4,16,11,12,7,5,3,17,6,2,15,10,21/rA:21nCNCCCCCCCSCCCCSCCCCCS/rB:s1;s2;d3;s4;s2d5;s6;s7;d8;s9;d7s10;s5;s12;d13;s14;d12s15;s3;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13NS3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.768 |
Area: | 499.429 |
Solvation: | -1.71768 |
Coulombic: | -9.75561 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.49 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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