Molecule

ID:66290

General Information

Structure

MolImage

Molecular Formula

C₁₀H₁₃ClN₂

Molecular Mass

196.67662

Exact Mass

196.07672611

Charge

0

InChI

InChI=1S/C10H13ClN2/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12-13H,4-5,7H2

InChIKey

XRVXSYWJPAAOBC-UHFFFAOYSA-N

Canonic Smiles

Clc1cccc(c1)C1CNCCN1

Isomeric Smiles

N1C(CNCC1)c1cc(ccc1)Cl

Calculated Properties

JChem

H Acceptors

2

H Donor

2

LogD (pH = 5.5)

-1.41479

LogD (pH = 7.4)

0.10281572

Log P

1.6594781

Molar Refractivity

54.5364

Polarizability

21.875696

Polar Surface Area

24.06

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