Molecule

ID:80454

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c15-13(17)12-6-8-16(9-7-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H2,15,17)
InChIKey
UNJWOPBEKPMSGH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)C(=O)N)OCc1ccccc1
Isomeric Smiles
N1(C(=O)OCc2ccccc2)CCC(C(=O)N)CC1
Calculated Properties
JChem
Acid pKa
15.938243
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.026996
LogD (pH = 7.4)
1.0269961
Log P
1.0269961
Molar Refractivity
70.6996
Polarizability
27.454065
Polar Surface Area
72.63
Rotatable Bonds
4
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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