Molecule

ID:21945

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₆N₂O

Molecular Mass

192.25754

Exact Mass

192.12626314

Charge

0

InChI

InChI=1S/C11H16N2O/c1-3-13(4-2)11(14)9-6-5-7-10(12)8-9/h5-8H,3-4,12H2,1-2H3

InChIKey

PECCRTHITMTOJM-UHFFFAOYSA-N

Canonic Smiles

CCN(C(=O)c1cccc(c1)N)CC

Isomeric Smiles

C(=O)(c1cc(N)ccc1)N(CC)CC

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

1.1531132

LogD (pH = 7.4)

1.1558926

Log P

1.1559283

Molar Refractivity

59.1274

Polarizability

21.663942

Polar Surface Area

46.33

Rotatable Bonds

3

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