Molecule

ID:28688

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-17-15-9-6-10-16(13-15)18-12-11-14-7-4-3-5-8-14/h3-10,13,17H,2,11-12H2,1H3
InChIKey
QHDDIOHTGWTMHB-UHFFFAOYSA-N
Canonic Smiles
CCNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
c1c(NCC)cccc1OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.6199453
LogD (pH = 7.4)
3.6577904
Log P
3.658295
Molar Refractivity
76.8312
Polarizability
29.06893
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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