Molecule

ID:28831

General Information

Structure

MolImage

Molecular Formula

C₉H₁₃N

Molecular Mass

135.20622

Exact Mass

135.10479942

Charge

0

InChI

InChI=1S/C9H13N/c1-7-5-4-6-8(2)9(7)10-3/h4-6,10H,1-3H3

InChIKey

NLGKRVNANIZGNI-UHFFFAOYSA-N

Canonic Smiles

CNc1c(C)cccc1C

Isomeric Smiles

c1(c(cccc1C)C)NC

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

2.4250362

LogD (pH = 7.4)

2.4722304

Log P

2.4728668

Molar Refractivity

46.3342

Polarizability

16.875248

Polar Surface Area

12.03

Rotatable Bonds

1

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