Molecule

ID:48947

General Information
Structure
Molecular Formula
C₁₂H₂₅ClN₂O
Molecular Mass
248.7927
Exact Mass
248.16554111
Charge
0
InChI
InChI=1S/C12H24N2O.ClH/c1-3-9-14(10-4-2)12(15)11-7-5-6-8-13-11;/h11,13H,3-10H2,1-2H3;1H
InChIKey
TYQVEFJSNOKZEM-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)C1CCCCN1)CCC.Cl
Isomeric Smiles
C(=O)(N(CCC)CCC)C1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2635494
LogD (pH = 7.4)
0.24761996
Log P
1.7464975
Molar Refractivity
62.8261
Polarizability
24.838331
Polar Surface Area
32.34
Rotatable Bonds
5
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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