Molecule

ID:30092

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁N₃O₂
Molecular Mass
287.35684
Exact Mass
287.16337693
Charge
0
InChI
InChI=1S/C16H21N3O2/c20-15(17-11-6-2-1-3-7-11)10-14-16(21)19-13-9-5-4-8-12(13)18-14/h4-5,8-9,11,14,18H,1-3,6-7,10H2,(H,17,20)(H,19,21)
InChIKey
YINQSHIVHBYKHZ-UHFFFAOYSA-N
Canonic Smiles
O=C(CC1Nc2ccccc2NC1=O)NC1CCCCC1
Isomeric Smiles
N1C(=O)C(Nc2c1cccc2)CC(=O)NC1CCCCC1
Calculated Properties
JChem
Acid pKa
13.092102
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.5279894
LogD (pH = 7.4)
1.5280185
Log P
1.5280197
Molar Refractivity
82.8181
Polarizability
30.83762
Polar Surface Area
70.23
Rotatable Bonds
3
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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