Molecule

ID:29509

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-20-17-21(2)19-25(18-20)28-16-14-26-23-10-12-24(13-11-23)27-15-6-9-22-7-4-3-5-8-22/h3-5,7-8,10-13,17-19,26H,6,9,14-16H2,1-2H3
InChIKey
LPVCTUFLQSKAEW-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OCCNc2ccc(cc2)OCCCc2ccccc2)cc(c1)C
Isomeric Smiles
c1(cc(cc(c1)C)C)OCCNc1ccc(cc1)OCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.2469788
LogD (pH = 7.4)
6.4143333
Log P
6.416948
Molar Refractivity
117.3182
Polarizability
44.7202
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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