Molecule

ID:40386

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10-4-3-7-16(9-10)12-5-6-14(15)13(8-12)11(2)17/h5-6,8,10H,3-4,7,9,15H2,1-2H3
InChIKey
BWFZBTKGMUYYLX-UHFFFAOYSA-N
Canonic Smiles
CC1CCCN(C1)c1ccc(c(c1)C(=O)C)N
Isomeric Smiles
c1(cc(N2CC(CCC2)C)ccc1N)C(=O)C
Calculated Properties
JChem
Acid pKa
16.252266
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7465814
LogD (pH = 7.4)
2.6359875
Log P
2.6753502
Molar Refractivity
72.2034
Polarizability
26.66437
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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