Molecule

ID:4717

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂O₂
Molecular Mass
324.41676
Exact Mass
324.18377802
Charge
0
InChI
InChI=1S/C20H24N2O2/c1-13-8-9-17-18(14(13)2)11-22(20(24)21(3)4)12-19(17)15-6-5-7-16(23)10-15/h5-10,19,23H,11-12H2,1-4H3/t19-/m1/s1
InChIKey
HPVCRUIDFODATB-LJQANCHMSA-N
Canonic Smiles
Oc1cccc(c1)[C@H]1CN(Cc2c1ccc(c2C)C)C(=O)N(C)C
Isomeric Smiles
c12CN(C[C@@H](c2ccc(c1C)C)c1cc(ccc1)O)C(=O)N(C)C
Calculated Properties
JChem
Acid pKa
9.436243
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5172362
LogD (pH = 7.4)
3.5133328
Log P
3.5172863
Molar Refractivity
97.2815
Polarizability
36.713345
Polar Surface Area
43.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.25
LOG S
-3.51
Solubility (Water)
1.01e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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