Molecule
ID:53101
General Information
Molecular Formula
C₁₉H₂₂N₂O₂
Molecular Mass
310.39018
Exact Mass
310.16812795
Charge
0
InChI
InChI=1S/C19H22N2O2/c1-3-7-21-11-13(19(22)23-2)8-15-14-5-4-6-16-18(14)12(10-20-16)9-17(15)21/h3-6,10,13,15,17,20H,1,7-9,11H2,2H3/t13?,15?,17-/m1/s1
InChIKey
IACRGBGBDYCBKO-PUJMQQBBSA-N
Canonic Smiles
C=CCN1CC(CC2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)OC
Isomeric Smiles
[nH]1cc2C[C@H]3N(CC(CC3c3cccc1c23)C(=O)OC)CC=C
Calculated Properties
JChem
Acid pKa
17.058826
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6800622
LogD (pH = 7.4)
2.4190316
Log P
2.9935257
Molar Refractivity
90.7807
Polarizability
36.324097
Polar Surface Area
45.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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