Molecule

ID:114639

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-17-16(12-13-6-4-3-5-7-13)14-8-10-15(18-2)11-9-14/h3-11,16-17H,12H2,1-2H3
InChIKey
OSBRASOCYMAZJL-UHFFFAOYSA-N
Canonic Smiles
CNC(c1ccc(cc1)OC)Cc1ccccc1
Isomeric Smiles
C(c1ccc(cc1)OC)(Cc1ccccc1)NC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.24230316
LogD (pH = 7.4)
1.1151431
Log P
3.4468248
Molar Refractivity
74.807
Polarizability
29.467836
Polar Surface Area
21.26
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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