Molecule

ID:22945

General Information
Structure
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10-12(15)8-5-9-13(10)16-14(17)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,15H2,1H3,(H,16,17)
InChIKey
HHHANQJZFWPQBN-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)C1CCCCC1
Calculated Properties
JChem
Acid pKa
14.127511
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9968982
LogD (pH = 7.4)
3.0087998
Log P
3.0089538
Molar Refractivity
71.8648
Polarizability
26.593168
Polar Surface Area
55.12
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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