Molecule

ID:63551

General Information

Structure

MolImage

Molecular Formula

C₈H₁₁N

Molecular Mass

121.17964

Exact Mass

121.08914936

Charge

0

InChI

InChI=1S/C8H11N/c1-7(2)8-5-3-4-6-9-8/h3-7H,1-2H3

InChIKey

PFYPDUUXDADWKC-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccccn1)C

Isomeric Smiles

c1(C(C)C)ncccc1

Calculated Properties

JChem

H Acceptors

1

H Donor

0

LogD (pH = 5.5)

1.8616109

LogD (pH = 7.4)

2.1256557

Log P

2.1304657

Molar Refractivity

37.694

Polarizability

14.901429

Polar Surface Area

12.89

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