Molecule

ID:28871

General Information
Structure
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-18-16-11-9-15(10-12-16)17-13-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-12,17H,5,8,13H2,1H3
InChIKey
QHXMRYNKHINHBF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NCCCc1ccccc1
Isomeric Smiles
c1(NCCCc2ccccc2)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.022763
LogD (pH = 7.4)
3.7229567
Log P
3.7460556
Molar Refractivity
76.6836
Polarizability
29.069435
Polar Surface Area
21.26
Rotatable Bonds
6
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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