Molecule

ID:48975

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O₂
Molecular Mass
248.74964
Exact Mass
248.1291556
Charge
0
InChI
InChI=1S/C11H20N2O2.ClH/c14-10-3-6-13(7-4-10)11(15)9-2-1-5-12-8-9;/h9-10,12,14H,1-8H2;1H
InChIKey
BKMOXRIIWXCAAD-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(CC1)C(=O)C1CCCNC1.Cl
Isomeric Smiles
C(=O)(N1CCC(CC1)O)C1CNCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.177589
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.1913877
LogD (pH = 7.4)
-3.1729555
Log P
-1.0053912
Molar Refractivity
58.2612
Polarizability
22.897978
Polar Surface Area
52.57
Rotatable Bonds
1
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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