Molecule

ID:45746

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉ClN₂O₂
Molecular Mass
270.75516
Exact Mass
270.11350554
Charge
0
InChI
InChI=1S/C13H18N2O2.ClH/c1-17-12-4-2-10(3-5-12)13(16)15-11-6-8-14-9-7-11;/h2-5,11,14H,6-9H2,1H3,(H,15,16);1H
InChIKey
AQXVTYKROIEQJG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)NC1CCNCC1.Cl
Isomeric Smiles
C(=O)(NC1CCNCC1)c1ccc(cc1)OC.Cl
Calculated Properties
JChem
Acid pKa
15.169287
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6865547
LogD (pH = 7.4)
-2.0022357
Log P
0.5336491
Molar Refractivity
66.6527
Polarizability
25.681328
Polar Surface Area
50.36
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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