Molecule

ID:29285

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₇NO₂
Molecular Mass
313.43388
Exact Mass
313.20417911
Charge
0
InChI
InChI=1S/C20H27NO2/c1-3-5-15-22-19-12-10-18(11-13-19)21-16-17-8-6-7-9-20(17)23-14-4-2/h6-13,21H,3-5,14-16H2,1-2H3
InChIKey
VNUJCHAOKUSPTP-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)NCc1ccccc1OCCC
Isomeric Smiles
c1(CNc2ccc(cc2)OCCCC)c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.970515
LogD (pH = 7.4)
5.057159
Log P
5.058384
Molar Refractivity
96.937
Polarizability
37.170113
Polar Surface Area
30.49
Rotatable Bonds
10
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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