Molecule

ID:20889

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅NO
Molecular Mass
295.4186
Exact Mass
295.19361443
Charge
0
InChI
InChI=1S/C20H25NO/c1-20(2,16-7-4-3-5-8-16)17-10-12-18(13-11-17)22-19-9-6-14-21-15-19/h3-5,7-8,10-13,19,21H,6,9,14-15H2,1-2H3
InChIKey
NABYPWVYDRNGGY-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccc(cc1)OC1CCCNC1)C
Isomeric Smiles
C(c1ccc(OC2CNCCC2)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4269005
LogD (pH = 7.4)
2.5436342
Log P
4.595596
Molar Refractivity
101.7121
Polarizability
36.11251
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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