Molecule

ID:28749

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-3-20(2)28-24-14-9-13-23(18-24)26-19-22-12-7-8-15-25(22)27-17-16-21-10-5-4-6-11-21/h4-15,18,20,26H,3,16-17,19H2,1-2H3
InChIKey
ZVDUTJLKIVSVHV-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)NCc1ccccc1OCCc1ccccc1)C
Isomeric Smiles
c1(CNc2cc(OC(CC)C)ccc2)c(OCCc2ccccc2)cccc1
Calculated Properties
JChem
Polarizability
44.87476
Polar Surface Area
30.49
Rotatable Bonds
10
Lipinski's Rule of Five
false
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.160969
LogD (pH = 7.4)
6.1641536
Log P
6.164194
Molar Refractivity
116.8498
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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