Molecule

ID:23434

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-16(13-5-3-2-4-6-13)14(17)11-7-9-12(15)10-8-11/h7-10,13H,2-6,15H2,1H3
InChIKey
VBQURISEJZGIJF-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)c1ccc(cc1)N)C1CCCCC1
Isomeric Smiles
C(=O)(N(C1CCCCC1)C)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.238073
LogD (pH = 7.4)
2.2415385
Log P
2.2415829
Molar Refractivity
70.6444
Polarizability
26.460844
Polar Surface Area
46.33
Rotatable Bonds
2
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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