Molecule

ID:22735

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c1-10-7-8-12(15)9-13(10)16-14(17)11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H,16,17)
InChIKey
IEDVXDXQDVJOSU-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1)Nc1cc(N)ccc1C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1C)C1CCCCC1
Calculated Properties
JChem
Acid pKa
14.074551
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9710553
LogD (pH = 7.4)
3.0084553
Log P
3.0089538
Molar Refractivity
71.8648
Polarizability
26.592308
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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