Molecule

ID:19352

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H15NO2.ClH/c14-9-10-3-1-2-4-12(10)13-7-5-11(15)6-8-13;/h1-4,9,11,15H,5-8H2;1H
InChIKey
DSNMGRMABZDEIQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1N1CCC(CC1)O.Cl
Isomeric Smiles
C1C(CCN(C1)c1c(cccc1)C=O)O.Cl
Calculated Properties
JChem
Acid pKa
15.177861
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1110901
LogD (pH = 7.4)
1.111842
Log P
1.1118516
Molar Refractivity
60.7949
Polarizability
22.45929
Polar Surface Area
40.54
Rotatable Bonds
2
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
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