Molecule

ID:125548

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N
Molecular Mass
215.33394
Exact Mass
215.16739968
Charge
0
InChI
InChI=1S/C15H21N/c1-2-7-13(8-3-1)15-11-5-4-9-14(15)10-6-12-16-15/h1-3,7-8,14,16H,4-6,9-12H2/t14-,15-/m1/s1
InChIKey
QEXADSRMRUUCQJ-HUUCEWRRSA-N
Canonic Smiles
c1ccc(cc1)[C@@]12CCCC[C@@H]2CCCN1
Isomeric Smiles
c1([C@]23CCCC[C@@H]2CCCN3)ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.36707556
LogD (pH = 7.4)
0.9961391
Log P
3.5906425
Molar Refractivity
67.5508
Polarizability
27.03335
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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