Molecule

ID:66619

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₂
Molecular Mass
246.30492
Exact Mass
246.13682783
Charge
0
InChI
InChI=1S/C14H18N2O2/c1-14(2,3)18-13(17)16-9-10-8-15-12-7-5-4-6-11(10)12/h4-8,15H,9H2,1-3H3,(H,16,17)
InChIKey
VEHKDBGCOVLARX-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCc1c[nH]c2c1cccc2
Isomeric Smiles
C(=O)(NCc1c[nH]c2c1cccc2)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.80158
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.6898737
LogD (pH = 7.4)
2.6898737
Log P
2.6898737
Molar Refractivity
70.4909
Polarizability
28.485788
Polar Surface Area
54.12
Rotatable Bonds
4
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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