Molecule

ID:110607

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c18-12-11-17(13-15-7-3-1-4-8-15)14-16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKey
WTTWSMJHJFNCQB-UHFFFAOYSA-N
Canonic Smiles
OCCN(Cc1ccccc1)Cc1ccccc1
Isomeric Smiles
OCCN(Cc1ccccc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
15.591957
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.010398954
LogD (pH = 7.4)
1.746115
Log P
2.9490137
Molar Refractivity
75.5056
Polarizability
29.488356
Polar Surface Area
23.47
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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