Molecule

ID:29499

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO
Molecular Mass
297.43448
Exact Mass
297.20926449
Charge
0
InChI
InChI=1S/C20H27NO/c1-5-15(2)19-8-6-7-9-20(19)22-13-12-21-18-11-10-16(3)17(4)14-18/h6-11,14-15,21H,5,12-13H2,1-4H3
InChIKey
RTCZJQPEDPQOPB-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccccc1OCCNc1ccc(c(c1)C)C)C
Isomeric Smiles
c1(c(OCCNc2cc(c(cc2)C)C)cccc1)C(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.743932
LogD (pH = 7.4)
5.8056474
Log P
5.806494
Molar Refractivity
95.6782
Polarizability
36.294823
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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