Molecule

ID:29397

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₂
Molecular Mass
361.47668
Exact Mass
361.20417911
Charge
0
InChI
InChI=1S/C24H27NO2/c1-19-8-13-24(20(2)18-19)27-17-15-25-22-9-11-23(12-10-22)26-16-14-21-6-4-3-5-7-21/h3-13,18,25H,14-17H2,1-2H3
InChIKey
VLIGLNHMRCCAMB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)OCCNc1ccc(cc1)OCCc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)C)OCCNc1ccc(cc1)OCCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.8028674
LogD (pH = 7.4)
5.9697733
Log P
5.972379
Molar Refractivity
112.7172
Polarizability
42.872673
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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