Molecule

ID:45874

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆ClNO₂
Molecular Mass
241.71394
Exact Mass
241.08695644
Charge
0
InChI
InChI=1S/C12H15NO2.ClH/c14-12(10-5-2-1-3-6-10)15-11-7-4-8-13-9-11;/h1-3,5-6,11,13H,4,7-9H2;1H
InChIKey
HGIMBSWXDDCBSB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)OC1CCCNC1.Cl
Isomeric Smiles
C(=O)(OC1CNCCC1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0490354
LogD (pH = 7.4)
0.22998744
Log P
2.077884
Molar Refractivity
58.0189
Polarizability
22.909609
Polar Surface Area
38.33
Rotatable Bonds
3
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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