Molecule

ID:29495

General Information
Structure
MolImage
Molecular Formula
C₂₇H₂₅NO₂
Molecular Mass
395.4929
Exact Mass
395.18852905
Charge
0
InChI
InChI=1S/C27H25NO2/c1-3-8-23(9-4-1)24-16-14-22(15-17-24)21-28-25-10-7-13-27(20-25)30-19-18-29-26-11-5-2-6-12-26/h1-17,20,28H,18-19,21H2
InChIKey
PIXKMWQZNHOVCY-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)OCCOc1cccc(c1)NCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(CNc2cc(OCCOc3ccccc3)ccc2)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.300096
LogD (pH = 7.4)
6.30405
Log P
6.304101
Molar Refractivity
123.016
Polarizability
48.619724
Polar Surface Area
30.49
Rotatable Bonds
9
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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