Molecule

ID:90735

General Information

Structure

MolImage

Molecular Formula

C₃H₁₀ClN

Molecular Mass

95.5712

Exact Mass

95.05017701

Charge

0

InChI

InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H

InChIKey

ISYORFGKSZLPNW-UHFFFAOYSA-N

Canonic Smiles

CC(N)C.Cl

Isomeric Smiles

NC(C)C.Cl

Calculated Properties

JChem

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

-2.879705

LogD (pH = 7.4)

-2.5821686

Log P

0.14792411

Molar Refractivity

19.0862

Polarizability

7.800994

Polar Surface Area

26.02

Rotatable Bonds

0

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