Molecule

ID:16807

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-3-16(4-2)15(19)10-17-9-12(11-18)13-7-5-6-8-14(13)17/h5-9,11H,3-4,10H2,1-2H3
InChIKey
RLVJVUVKYOQMHN-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)Cn1cc(c2c1cccc2)C=O)CC
Isomeric Smiles
c12c(c(cn1CC(=O)N(CC)CC)C=O)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.840195
LogD (pH = 7.4)
1.840195
Log P
1.840195
Molar Refractivity
75.8226
Polarizability
29.697084
Polar Surface Area
42.31
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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