Molecule

ID:48977

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅ClN₂O
Molecular Mass
260.8034
Exact Mass
260.16554111
Charge
0
InChI
InChI=1S/C13H24N2O.ClH/c1-15(12-7-3-2-4-8-12)13(16)11-6-5-9-14-10-11;/h11-12,14H,2-10H2,1H3;1H
InChIKey
YRDLIUPOZSCRAS-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1CCCNC1)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)C)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7101772
LogD (pH = 7.4)
-0.6917446
Log P
1.4758197
Molar Refractivity
65.5511
Polarizability
25.950315
Polar Surface Area
32.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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