Molecule

ID:67778

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO

Molecular Mass

143.22668

Exact Mass

143.13101417

Charge

0

InChI

InChI=1S/C8H17NO/c1-8(2,10-3)7-5-4-6-9-7/h7,9H,4-6H2,1-3H3

InChIKey

ZPGUMFCNPREQSF-UHFFFAOYSA-N

Canonic Smiles

COC(C1CCCN1)(C)C

Isomeric Smiles

N1C(CCC1)C(C)(C)OC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.3165555

LogD (pH = 7.4)

-2.1496248

Log P

0.92286223

Molar Refractivity

42.0051

Polarizability

16.955612

Polar Surface Area

21.26

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

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Molecule Details

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References

Bioactivity