Molecule

ID:22693

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-13(18(22)21-16-7-5-6-15(20)12-16)23-17-10-8-14(9-11-17)19(2,3)4/h5-13H,20H2,1-4H3,(H,21,22)
InChIKey
WMEZPZJMTYXKIX-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Oc1ccc(cc1)C(C)(C)C)C)Nc1cccc(c1)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1ccc(C(C)(C)C)cc1)C
Calculated Properties
JChem
Acid pKa
12.71595
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.002858
LogD (pH = 7.4)
4.012626
Log P
4.0127544
Molar Refractivity
94.7433
Polarizability
35.753094
Polar Surface Area
64.35
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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