Molecule

ID:11604

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-2-7-15(16-10-6-13-18-16)17-12-11-14-8-4-3-5-9-14/h2-6,8-10,13,15,17H,1,7,11-12H2
InChIKey
DENSQFIUVKVMOD-UHFFFAOYSA-N
Canonic Smiles
C=CCC(c1ccco1)NCCc1ccccc1
Isomeric Smiles
c1cc(oc1)C(NCCc1ccccc1)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.71485645
LogD (pH = 7.4)
2.2727525
Log P
3.6846538
Molar Refractivity
74.6524
Polarizability
29.082506
Polar Surface Area
25.17
Rotatable Bonds
7
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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