Molecule

ID:3690

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₇NO

Molecular Mass

167.24808

Exact Mass

167.13101417

Charge

0

InChI

InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2

InChIKey

DWGVYBRKKSJLNS-UHFFFAOYSA-N

Canonic Smiles

O=CN(C1CCC1)C1CCCC1

Isomeric Smiles

N(C=O)(C1CCCC1)C1CCC1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.6331886

LogD (pH = 7.4)

1.6332

Log P

1.6332002

Molar Refractivity

47.9942

Polarizability

18.897352

Polar Surface Area

20.31

Rotatable Bonds

2

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

2.14

LOG S

-1.41

Solubility (Water)

6.45e+00 g/l

Data Source

Names and Identifiers

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

References

Bioactivity