Molecule

ID:135409

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO
Molecular Mass
265.34956
Exact Mass
265.14666423
Charge
0
InChI
InChI=1S/C18H19NO/c1-13-8-10-14(11-9-13)15-6-4-5-7-16(15)17-19-18(2,3)12-20-17/h4-11H,12H2,1-3H3
InChIKey
JUNZDJNCZJUDRU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccccc1C1=NC(CO1)(C)C
Isomeric Smiles
Cc1ccc(cc1)c1ccccc1C1=NC(CO1)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6569304
LogD (pH = 7.4)
4.666148
Log P
4.6662674
Molar Refractivity
82.5714
Polarizability
33.02195
Polar Surface Area
21.59
Rotatable Bonds
2
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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