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Chemical ID: 5871125
Chemical ID:
5871125
Name [?]:
3-[(2-chlorothiazol-5-yl)methoxy]benzaldehyde
SMILES [?]:
c1cc(cc(c1)OCc2cnc(s2)Cl)C=O
InChi [?]:
InChI=1/C11H8ClNO2S/c12-11-13-5-10(16-11)7-15-9-3-1-2-8(4-9)6-14/h1-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,4,10,15,8,3,5,9,12,14,11,16,7,13/rA:16nCCCCCCOCCCNCSClCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s12;s3;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H8ClNO2S |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40368 |
Area: | 441.154 |
Solvation: | -3.62516 |
Coulombic: | -21.3702 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.705 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.8 |
LogP (Chemaxon): | 2.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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