Molecule

ID:40426

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₃
Molecular Mass
222.24046
Exact Mass
222.10044232
Charge
0
InChI
InChI=1S/C11H14N2O3/c14-7-6-12-10(15)8-13-11(16)9-4-2-1-3-5-9/h1-5,14H,6-8H2,(H,12,15)(H,13,16)
InChIKey
HXFPFDLQPJNRMQ-UHFFFAOYSA-N
Canonic Smiles
OCCNC(=O)CNC(=O)c1ccccc1
Isomeric Smiles
C(=O)(NCC(=O)NCCO)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.654789
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.7478231
LogD (pH = 7.4)
-0.7478231
Log P
-0.74782306
Molar Refractivity
59.1289
Polarizability
22.39414
Polar Surface Area
78.43
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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