Molecule

ID:29588

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₉NO₂
Molecular Mass
375.50326
Exact Mass
375.21982917
Charge
0
InChI
InChI=1S/C25H29NO2/c1-20-10-6-7-16-25(20)28-21(2)19-26-23-14-8-15-24(18-23)27-17-9-13-22-11-4-3-5-12-22/h3-8,10-12,14-16,18,21,26H,9,13,17,19H2,1-2H3
InChIKey
JQYJLCSSEFATHN-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1C)CNc1cccc(c1)OCCCc1ccccc1
Isomeric Smiles
c1(OC(CNc2cc(OCCCc3ccccc3)ccc2)C)c(C)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
6.3128185
LogD (pH = 7.4)
6.320009
Log P
6.3201017
Molar Refractivity
116.6958
Polarizability
44.802048
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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