Molecule

ID:119682

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₂
Molecular Mass
258.31562
Exact Mass
258.13682783
Charge
0
InChI
InChI=1S/C15H18N2O2/c1-15(2)13-10(8-12(17-15)14(18)19-3)9-6-4-5-7-11(9)16-13/h4-7,12,16-17H,8H2,1-3H3/t12-/m0/s1
InChIKey
BCECOYNVQCXLBN-LBPRGKRZSA-N
Canonic Smiles
COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2C(N1)(C)C
Isomeric Smiles
c12c(c3c([nH]1)cccc3)C[C@H](NC2(C)C)C(=O)OC
Calculated Properties
JChem
Acid pKa
15.230218
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8956095
LogD (pH = 7.4)
2.1194794
Log P
2.1232316
Molar Refractivity
73.2356
Polarizability
29.992811
Polar Surface Area
54.12
Rotatable Bonds
2
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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