Molecule

ID:50164

General Information

Structure

MolImage

Molecular Formula

C₈H₁₇NO

Molecular Mass

143.22668

Exact Mass

143.13101417

Charge

0

InChI

InChI=1S/C8H17NO/c1-2-10-6-4-8-3-5-9-7-8/h8-9H,2-7H2,1H3

InChIKey

IPGCQZXMWOKOGO-UHFFFAOYSA-N

Canonic Smiles

CCOCCC1CNCC1

Isomeric Smiles

N1CC(CCOCC)CC1

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-2.65541

LogD (pH = 7.4)

-2.5903947

Log P

0.5857163

Molar Refractivity

42.7355

Polarizability

16.955612

Polar Surface Area

21.26

Rotatable Bonds

4

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