Molecule

ID:48919

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c1-14(10-6-3-2-4-7-10)12(15)11-8-5-9-13-11;/h10-11,13H,2-9H2,1H3;1H
InChIKey
NLDISGWVPLOHCC-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C1CCCCC1)C)C1CCCN1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)C)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8644334
LogD (pH = 7.4)
-1.0157522
Log P
1.3425386
Molar Refractivity
60.6941
Polarizability
24.10781
Polar Surface Area
32.34
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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