Molecule

ID:23505

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂O₂
Molecular Mass
298.37948
Exact Mass
298.16812795
Charge
0
InChI
InChI=1S/C18H22N2O2/c1-4-12(2)22-15-10-8-14(9-11-15)18(21)20-17-7-5-6-16(19)13(17)3/h5-12H,4,19H2,1-3H3,(H,20,21)
InChIKey
AQHGXZPLIAZIOY-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)C(=O)Nc1cccc(c1C)N)C
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)c1ccc(OC(CC)C)cc1
Calculated Properties
JChem
Acid pKa
13.212748
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.8812048
LogD (pH = 7.4)
3.8877752
Log P
3.88786
Molar Refractivity
91.4877
Polarizability
33.88594
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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