Molecule

ID:63689

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)19-11-9-15(10-12-19)20-13-8-14-6-4-5-7-16(14)20/h4-8,13,15H,9-12H2,1-3H3
InChIKey
VJCXACABXTXLEE-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)n1ccc2c1cccc2)OC(C)(C)C
Isomeric Smiles
C1C(n2ccc3c2cccc3)CCN(C(=O)OC(C)(C)C)C1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.222635
LogD (pH = 7.4)
3.222635
Log P
3.222635
Molar Refractivity
87.1927
Polarizability
35.133
Polar Surface Area
34.47
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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