Molecule

ID:40387

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10-5-7-16(8-6-10)12-3-4-14(15)13(9-12)11(2)17/h3-4,9-10H,5-8,15H2,1-2H3
InChIKey
LOBDGMABMHFSQN-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1ccc(c(c1)C(=O)C)N
Isomeric Smiles
c1(cc(N2CCC(CC2)C)ccc1N)C(=O)C
Calculated Properties
JChem
Acid pKa
16.25235
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.8319464
LogD (pH = 7.4)
2.571671
Log P
2.5973964
Molar Refractivity
72.2804
Polarizability
26.66438
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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