Molecule

ID:20652

General Information
Structure
Molecular Formula
C₁₅H₂₃NO
Molecular Mass
233.34922
Exact Mass
233.17796436
Charge
0
InChI
InChI=1S/C15H23NO/c1-2-6-14(7-3-1)9-5-11-17-13-15-8-4-10-16-12-15/h1-3,6-7,15-16H,4-5,8-13H2
InChIKey
CASGNHPJVUDFQO-UHFFFAOYSA-N
Canonic Smiles
C(CCc1ccccc1)OCC1CCCNC1
Isomeric Smiles
N1CC(COCCCc2ccccc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5010641
LogD (pH = 7.4)
0.0138763115
Log P
2.728168
Molar Refractivity
71.8567
Polarizability
28.346283
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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