Chemical ID: 5871125

c1cc(cc(c1)OCc2cnc(s2)Cl)C=O
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

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Descriptor Annotations

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