Molecule

ID:76547

General Information

Structure

Molecular Formula

C₉H₁₁NO

Molecular Mass

149.18974

Exact Mass

149.08406398

Charge

0

InChI

InChI=1S/C9H11NO/c1-10(2)9-6-4-3-5-8(9)7-11/h3-7H,1-2H3

InChIKey

DGPBVJWCIDNDPN-UHFFFAOYSA-N

Canonic Smiles

O=Cc1ccccc1N(C)C

Isomeric Smiles

O=Cc1c(cccc1)N(C)C

Calculated Properties

JChem

H Acceptors

2

H Donor

0

LogD (pH = 5.5)

1.7931862

LogD (pH = 7.4)

1.7937844

Log P

1.793792

Molar Refractivity

47.0706

Polarizability

17.046589

Polar Surface Area

20.31

Rotatable Bonds

2

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity