Molecule

ID:48778

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-3-13(11(14)9-12-2)10-7-5-4-6-8-10;/h10,12H,3-9H2,1-2H3;1H
InChIKey
XTBINBUHAZPGDO-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)CNC)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)CNC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8941146
LogD (pH = 7.4)
-0.3424395
Log P
1.0815928
Molar Refractivity
58.1564
Polarizability
22.99533
Polar Surface Area
32.34
Rotatable Bonds
4
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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