Molecule

ID:85699

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO₂
Molecular Mass
229.70324
Exact Mass
229.08695644
Charge
0
InChI
InChI=1S/C11H15NO2.ClH/c1-2-14-11(13)10(12)8-9-6-4-3-5-7-9;/h3-7,10H,2,8,12H2,1H3;1H/t10-;/m1./s1
InChIKey
FPFQPLFYTKMCHN-HNCPQSOCSA-N
Canonic Smiles
CCOC(=O)[C@@H](Cc1ccccc1)N.Cl
Isomeric Smiles
O=C([C@@H](Cc1ccccc1)N)OCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.11135759
LogD (pH = 7.4)
1.4443477
Log P
1.580317
Molar Refractivity
54.634
Polarizability
21.825216
Polar Surface Area
52.32
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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