Molecule

ID:20338

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉NO
Molecular Mass
241.32816
Exact Mass
241.14666423
Charge
0
InChI
InChI=1S/C16H19NO/c1-13-12-15(17)9-10-16(13)18-11-5-8-14-6-3-2-4-7-14/h2-4,6-7,9-10,12H,5,8,11,17H2,1H3
InChIKey
UXCCLBJLEJJJEZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)OCCCc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)N)OCCCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7380946
LogD (pH = 7.4)
3.954175
Log P
3.957773
Molar Refractivity
76.2314
Polarizability
28.990822
Polar Surface Area
35.25
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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