Molecule

ID:23486

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₈N₂O₂
Molecular Mass
270.32632
Exact Mass
270.13682783
Charge
0
InChI
InChI=1S/C16H18N2O2/c1-2-10-20-15-5-3-4-12(11-15)16(19)18-14-8-6-13(17)7-9-14/h3-9,11H,2,10,17H2,1H3,(H,18,19)
InChIKey
XCFIVMDYKOXBPD-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)C(=O)Nc1ccc(cc1)N
Isomeric Smiles
C(=O)(Nc1ccc(N)cc1)c1cc(OCCC)ccc1
Calculated Properties
JChem
Acid pKa
12.529934
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.949944
LogD (pH = 7.4)
2.95776
Log P
2.9578638
Molar Refractivity
82.0277
Polarizability
30.276102
Polar Surface Area
64.35
Rotatable Bonds
5
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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