Molecule

ID:24751

General Information

Structure

Molecular Formula

C₉H₁₂N₂

Molecular Mass

148.20498

Exact Mass

148.10004839

Charge

0

InChI

InChI=1S/C9H12N2/c10-11-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6H,3,5,7,10H2

InChIKey

OQMROOTVLOXIJH-UHFFFAOYSA-N

Canonic Smiles

NN1CCCc2c1cccc2

Isomeric Smiles

N1(c2c(CCC1)cccc2)N

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.3716091

LogD (pH = 7.4)

1.883595

Log P

1.8962618

Molar Refractivity

57.4806

Polarizability

17.623735

Polar Surface Area

29.26

Rotatable Bonds

0

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

Bioactivity