Molecule

ID:42678

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-2-14(17)16-10-8-15(9-11-16)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKey
HYIIOHRACFSVNW-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(C(=O)CC)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.076373406
LogD (pH = 7.4)
1.510226
Log P
1.6891923
Molar Refractivity
69.5489
Polarizability
27.072182
Polar Surface Area
23.55
Rotatable Bonds
3
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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