Molecule

ID:48953

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁ClN₂O
Molecular Mass
280.79304
Exact Mass
280.13424098
Charge
0
InChI
InChI=1S/C15H20N2O.ClH/c18-15(14-7-3-4-9-16-14)17-10-8-12-5-1-2-6-13(12)11-17;/h1-2,5-6,14,16H,3-4,7-11H2;1H
InChIKey
SIGUYCXJHRTHQN-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCc2c(C1)cccc2)C1CCCCN1.Cl
Isomeric Smiles
N1(C(=O)C2NCCCC2)Cc2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2576404
LogD (pH = 7.4)
0.2537995
Log P
1.7521983
Molar Refractivity
72.2031
Polarizability
28.179482
Polar Surface Area
32.34
Rotatable Bonds
1
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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