Molecule

ID:46314

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₆ClNO
Molecular Mass
247.80464
Exact Mass
247.17029214
Charge
0
InChI
InChI=1S/C13H25NO.ClH/c1-2-4-12(5-3-1)7-9-15-11-13-6-8-14-10-13;/h12-14H,1-11H2;1H
InChIKey
OYQUGTPURPUVSY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CCOCC1CNCC1.Cl
Isomeric Smiles
N1CC(COCCC2CCCCC2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9336833
LogD (pH = 7.4)
-0.82707375
Log P
2.3067946
Molar Refractivity
63.7101
Polarizability
25.443918
Polar Surface Area
21.26
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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