Molecule

ID:28693

General Information
Structure
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-19-9-7-10-20(2)25(19)28-21(3)18-26-23-13-8-14-24(17-23)27-16-15-22-11-5-4-6-12-22/h4-14,17,21,26H,15-16,18H2,1-3H3
InChIKey
XBKSFMGPNZLZIQ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1c(C)cccc1C)CNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
c1(OC(CNc2cc(OCCc3ccccc3)ccc2)C)c(cccc1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.3816795
LogD (pH = 7.4)
6.388862
Log P
6.3889546
Molar Refractivity
117.136
Polarizability
44.721474
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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