Molecule

ID:29101

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-12-7-6-9-15(13(12)2)17-11-14-8-4-5-10-16(14)18-3/h4-10,17H,11H2,1-3H3
InChIKey
DLGUFENDMJAKDZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CNc1cccc(c1C)C
Isomeric Smiles
N(c1c(c(ccc1)C)C)Cc1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.029622
LogD (pH = 7.4)
4.039541
Log P
4.0396686
Molar Refractivity
77.41
Polarizability
28.985956
Polar Surface Area
21.26
Rotatable Bonds
4
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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