Molecule

ID:29266

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO
Molecular Mass
295.4186
Exact Mass
295.19361443
Charge
0
InChI
InChI=1S/C20H25NO/c1-2-8-17(9-3-1)14-15-22-20-13-7-4-10-18(20)16-21-19-11-5-6-12-19/h1-4,7-10,13,19,21H,5-6,11-12,14-16H2
InChIKey
RMSGYNUOSKXZMI-UHFFFAOYSA-N
Canonic Smiles
C1CCC(C1)NCc1ccccc1OCCc1ccccc1
Isomeric Smiles
c1(CNC2CCCC2)c(OCCc2ccccc2)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5812283
LogD (pH = 7.4)
2.7363756
Log P
4.74176
Molar Refractivity
91.55
Polarizability
36.113228
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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