Molecule

ID:29043

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N
Molecular Mass
219.3657
Exact Mass
219.19869981
Charge
0
InChI
InChI=1S/C15H25N/c1-5-6-11-16-12-13-7-9-14(10-8-13)15(2,3)4/h7-10,16H,5-6,11-12H2,1-4H3
InChIKey
QSTYEWGTFDFIAZ-UHFFFAOYSA-N
Canonic Smiles
CCCCNCc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(c1ccc(cc1)CNCCCC)(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1846138
LogD (pH = 7.4)
1.9296451
Log P
4.40055
Molar Refractivity
71.8455
Polarizability
28.440683
Polar Surface Area
12.03
Rotatable Bonds
6
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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