Molecule

ID:21144

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO
Molecular Mass
245.35992
Exact Mass
245.17796436
Charge
0
InChI
InChI=1S/C16H23NO/c1-4-14-6-7-16(11-15(14)5-1)18-10-8-13-3-2-9-17-12-13/h6-7,11,13,17H,1-5,8-10,12H2
InChIKey
OTZRTVIJIISUQG-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CCOc1ccc2c(c1)CCC2
Isomeric Smiles
c12c(ccc(c1)OCCC1CNCCC1)CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13786553
LogD (pH = 7.4)
0.5139156
Log P
3.3721876
Molar Refractivity
74.9778
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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