Molecule

ID:83995

General Information
Structure
Molecular Formula
C₁₀H₁₄ClNO₂
Molecular Mass
215.67666
Exact Mass
215.07130637
Charge
0
InChI
InChI=1S/C10H13NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h3-7,9H,2,11H2,1H3;1H
InChIKey
FNNXQLSKQSVNLL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccccc1)N.Cl
Isomeric Smiles
O=C(C(c1ccccc1)N)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.07405288
LogD (pH = 7.4)
1.2131984
Log P
1.2916559
Molar Refractivity
49.879
Polarizability
19.97876
Polar Surface Area
52.32
Rotatable Bonds
4
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
References
Bioactivity
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