Molecule

ID:20936

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO
Molecular Mass
247.3758
Exact Mass
247.19361443
Charge
0
InChI
InChI=1S/C16H25NO/c1-16(2,3)14-6-4-13(5-7-14)12-18-15-8-10-17-11-9-15/h4-7,15,17H,8-12H2,1-3H3
InChIKey
PXCNFNUFHIWTKW-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COC1CCNCC1)(C)C
Isomeric Smiles
C(c1ccc(COC2CCNCC2)cc1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.18209684
LogD (pH = 7.4)
0.5063262
Log P
3.037837
Molar Refractivity
76.4474
Polarizability
30.184238
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
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Molecule Details
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References
Bioactivity
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