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Chem 1 Naphthaldehyde | Cheminformatics

1-Naphthaldehyde


  • SKU Code: CH137976
Chemical Name - 1-Naphthaldehyde
Mol Weight - 156.184
Smiles - O=Cc1cccc2ccccc12
Property Name Property Value
Mol Name1-Naphthaldehyde
Molweight156.184
Monoisotopic Mass156.057515
Clogp2.7873
Clogs-3.546
H Acceptors1
Total Surface Area127.4
Relative Psa0.10235
Polar Surface Area17.07
Druglikeness-4.225
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Shape Index0.58333
Molecular Flexibility0.20631
Molecular Complexity0.65854
Fragments1
Non H Atoms12
Non Ch Atoms1
Electronegative Atoms1
Rotatable Bonds1
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms10
SmilesO=Cc1cccc2ccccc12
InChIKeyInChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
InChISQAINHDHICKHLX-UHFFFAOYSA-N

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1 - 1-Naphthaldehyde
2 - 1-Naphthaldehyde
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