Molecule

ID:20703

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₇NO
Molecular Mass
309.44518
Exact Mass
309.20926449
Charge
0
InChI
InChI=1S/C21H27NO/c1-21(2,18-8-4-3-5-9-18)19-10-12-20(13-11-19)23-16-17-7-6-14-22-15-17/h3-5,8-13,17,22H,6-7,14-16H2,1-2H3
InChIKey
CEADWIJTPPOBLJ-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccc(cc1)OCC1CCCNC1)C
Isomeric Smiles
C(c1ccc(OCC2CNCCC2)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4184632
LogD (pH = 7.4)
2.0760505
Log P
4.6403503
Molar Refractivity
106.6521
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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