Molecule

ID:63997

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₂
Molecular Mass
300.39536
Exact Mass
300.18377802
Charge
0
InChI
InChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)20-10-8-13(9-11-20)15-12-19-16-7-5-4-6-14(15)16/h4-7,12-13,19H,8-11H2,1-3H3
InChIKey
GYDQTMYPRNVZBF-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)c1c[nH]c2c1cccc2)OC(C)(C)C
Isomeric Smiles
c1cc2c(C3CCN(C(=O)OC(C)(C)C)CC3)c[nH]c2cc1
Calculated Properties
JChem
Acid pKa
16.126545
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.4602659
LogD (pH = 7.4)
3.4602659
Log P
3.4602659
Molar Refractivity
87.5606
Polarizability
35.131916
Polar Surface Area
45.33
Rotatable Bonds
3
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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