Molecule

ID:70997

General Information

Structure

MolImage

Molecular Formula

C₇H₁₅NO₂

Molecular Mass

145.1995

Exact Mass

145.11027873

Charge

0

InChI

InChI=1S/C7H15NO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5,8H2,1-2H3/t6-/m0/s1

InChIKey

RJJXSCQQRYCPLW-LURJTMIESA-N

Canonic Smiles

CCCCOC(=O)[C@@H](N)C

Isomeric Smiles

C(=O)([C@H](C)N)OCCCC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

-0.92763305

LogD (pH = 7.4)

0.6196347

Log P

0.89108175

Molar Refractivity

39.14

Polarizability

15.9186325

Polar Surface Area

52.32

Rotatable Bonds

5

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