Molecule

ID:20790

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₇NO
Molecular Mass
309.44518
Exact Mass
309.20926449
Charge
0
InChI
InChI=1S/C21H27NO/c1-21(2,18-6-4-3-5-7-18)19-8-10-20(11-9-19)23-16-17-12-14-22-15-13-17/h3-11,17,22H,12-16H2,1-2H3
InChIKey
XFJQOBJBVLEXDY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccc(cc1)OCC1CCNCC1)C
Isomeric Smiles
C(c1ccc(OCC2CCNCC2)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3673729
LogD (pH = 7.4)
1.8281436
Log P
4.5987935
Molar Refractivity
106.7509
Polarizability
37.959553
Polar Surface Area
21.26
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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