Molecule

ID:23457

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₂
Molecular Mass
312.40606
Exact Mass
312.18377802
Charge
0
InChI
InChI=1S/C19H24N2O2/c1-4-13(2)17-10-5-6-11-18(17)23-14(3)19(22)21-16-9-7-8-15(20)12-16/h5-14H,4,20H2,1-3H3,(H,21,22)
InChIKey
JRLCGGRSASPQAP-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OC(C(=O)Nc1cccc(c1)N)C)C
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1)C(Oc1c(C(CC)C)cccc1)C
Calculated Properties
JChem
Acid pKa
12.715856
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1480355
LogD (pH = 7.4)
4.1571565
Log P
4.1572757
Molar Refractivity
94.8692
Polarizability
35.75532
Polar Surface Area
64.35
Rotatable Bonds
6
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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