Molecule

ID:60738

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O
Molecular Mass
232.3214
Exact Mass
232.15756327
Charge
0
InChI
InChI=1S/C14H20N2O/c15-13-10-6-5-9-12(13)14(17)16-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8,15H2,(H,16,17)
InChIKey
JYRFNVVNWLSKQP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1N)NC1CCCCCC1
Isomeric Smiles
C(=O)(c1c(N)cccc1)NC1CCCCCC1
Calculated Properties
JChem
Acid pKa
15.506004
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1113765
LogD (pH = 7.4)
3.1124616
Log P
3.1124754
Molar Refractivity
70.3487
Polarizability
26.462973
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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