Molecule

ID:50383

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-19-13(17)9-12-14(18)16(8-7-15-12)10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKey
QJBKZTCGIAFDAK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC1NCCN(C1=O)Cc1ccccc1
Isomeric Smiles
N1(C(=O)C(CC(=O)OC)NCC1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
18.95717
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.16722687
LogD (pH = 7.4)
0.5287216
Log P
0.55130893
Molar Refractivity
70.3356
Polarizability
27.837986
Polar Surface Area
58.64
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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