Molecule

ID:403

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₃
Molecular Mass
292.37336
Exact Mass
292.17869264
Charge
0
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)
InChIKey
LWAFSWPYPHEXKX-UHFFFAOYSA-N
Canonic Smiles
OC(COc1cccc2c1CCC(=O)N2)CNC(C)(C)C
Isomeric Smiles
O(CC(O)CNC(C)(C)C)c1c2CCC(=O)Nc2ccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.89
LogD (pH = 5.5)
-1.78
Log P
1.42
Rotatable Bonds
6
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
9.76
Polar Surface Area
70.59
Polarizability
32.74
Molar Refractivity
83.14
LOG S
-2.05
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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