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Chemical ID: 5871292
Chemical ID:
5871292
Name [?]:
2-phenylthiazole-5-carbaldehyde
SMILES [?]:
c1ccc(cc1)c2ncc(s2)C=O
InChi [?]:
InChI=1/C10H7NOS/c12-7-9-6-11-10(13-9)8-4-2-1-3-5-8/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,12,4,10,7,8,13,11/E:(2,3)(4,5)/rA:13nCCCCCCCNCCSCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7NOS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.18432 |
Area: | 358.293 |
Solvation: | -2.77301 |
Coulombic: | -13.4177 |
Bond Count [?]
All: | 14 |
Single: | 8 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 189.235 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.41 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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