Molecule

ID:34497

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇N₃O₂
Molecular Mass
283.32508
Exact Mass
283.1320768
Charge
0
InChI
InChI=1S/C16H17N3O2/c20-15(18-13-7-3-1-4-8-13)11-17-12-16(21)19-14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,18,20)(H,19,21)
InChIKey
YSLNFEXMCPEDQO-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1)CNCC(=O)Nc1ccccc1
Isomeric Smiles
C(=O)(Nc1ccccc1)CNCC(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.208357
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.10437134
LogD (pH = 7.4)
1.479666
Log P
1.6316919
Molar Refractivity
83.4172
Polarizability
31.208244
Polar Surface Area
70.23
Rotatable Bonds
6
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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