Molecule

ID:51550

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₃
Molecular Mass
262.30432
Exact Mass
262.13174245
Charge
0
InChI
InChI=1S/C14H18N2O3/c1-18-13(17)8-6-11-5-7-12(15-14(11)19-2)16-9-3-4-10-16/h5-8H,3-4,9-10H2,1-2H3/b8-6+
InChIKey
PSIKWHHQFIKLJX-SOFGYWHQSA-N
Canonic Smiles
COC(=O)/C=C/c1ccc(nc1OC)N1CCCC1
Isomeric Smiles
c1(c(nc(cc1)N1CCCC1)OC)/C=C/C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.8249414
LogD (pH = 7.4)
2.8424978
Log P
2.8427262
Molar Refractivity
74.7319
Polarizability
27.701944
Polar Surface Area
51.66
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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