Molecule

ID:43375

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃
Molecular Mass
274.31502
Exact Mass
274.13174245
Charge
0
InChI
InChI=1S/C15H18N2O3/c18-14(19)7-10-17-8-5-11(6-9-17)15-16-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2,(H,18,19)
InChIKey
SRSIEKAIKHYKQS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCN1CCC(CC1)c1nc2c(o1)cccc2
Isomeric Smiles
n1c(oc2c1cccc2)C1CCN(CCC(=O)O)CC1
Calculated Properties
JChem
Acid pKa
3.9778695
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.090192
LogD (pH = 7.4)
-1.086609
Log P
-1.0825874
Molar Refractivity
73.6741
Polarizability
29.785152
Polar Surface Area
66.57
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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