Molecule

ID:48949

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅ClN₂O
Molecular Mass
260.8034
Exact Mass
260.16554111
Charge
0
InChI
InChI=1S/C13H24N2O.ClH/c1-2-11-7-4-6-10-15(11)13(16)12-8-3-5-9-14-12;/h11-12,14H,2-10H2,1H3;1H
InChIKey
WBNFNYPXXOTQEQ-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1C(=O)C1CCCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCCC2)C(CC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2325633
LogD (pH = 7.4)
0.27884442
Log P
1.7773004
Molar Refractivity
65.3657
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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