Molecule

ID:107051

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆ClNO
Molecular Mass
213.70384
Exact Mass
213.09204182
Charge
0
InChI
InChI=1S/C11H15NO.ClH/c1-12(2)9-8-11(13)10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
InChIKey
DKNDBIIKSJWQFL-UHFFFAOYSA-N
Canonic Smiles
CN(CCC(=O)c1ccccc1)C.Cl
Isomeric Smiles
Cl.CN(C)CCC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.71589
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.0556003
LogD (pH = 7.4)
0.7163201
Log P
1.6594045
Molar Refractivity
54.5892
Polarizability
21.132084
Polar Surface Area
20.31
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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