Molecule

ID:21161

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO
Molecular Mass
245.35992
Exact Mass
245.17796436
Charge
0
InChI
InChI=1S/C16H23NO/c1-2-14-4-5-16(12-15(14)3-1)18-11-8-13-6-9-17-10-7-13/h4-5,12-13,17H,1-3,6-11H2
InChIKey
OKAYEJSMRYZRTQ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCOc1ccc2c(c1)CCC2
Isomeric Smiles
c12c(ccc(c1)OCCC1CCNCC1)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.06264822
LogD (pH = 7.4)
0.5190382
Log P
3.294234
Molar Refractivity
75.0548
Polarizability
29.355083
Polar Surface Area
21.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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