Molecule

ID:61458

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀N₂O
Molecular Mass
244.3321
Exact Mass
244.15756327
Charge
0
InChI
InChI=1S/C15H20N2O/c18-14-15(6-9-16-14)7-10-17(11-8-15)12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)
InChIKey
YDCQDXRNSYBVDA-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCC21CCN(CC2)Cc1ccccc1
Isomeric Smiles
C1N(CCC2(C1)C(=O)NCC2)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
14.672551
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8075445
LogD (pH = 7.4)
-0.3264539
Log P
1.486968
Molar Refractivity
72.4709
Polarizability
28.182535
Polar Surface Area
32.34
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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