Molecule

ID:28686

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO
Molecular Mass
331.4507
Exact Mass
331.19361443
Charge
0
InChI
InChI=1S/C23H25NO/c1-3-9-20(10-4-1)13-8-17-24-22-14-7-15-23(19-22)25-18-16-21-11-5-2-6-12-21/h1-7,9-12,14-15,19,24H,8,13,16-18H2
InChIKey
CDIIOXNRZMVAOQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCCNc1cccc(c1)OCCc1ccccc1
Isomeric Smiles
c1c(NCCCc2ccccc2)cccc1OCCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.7017198
LogD (pH = 7.4)
5.7584167
Log P
5.75919
Molar Refractivity
106.0512
Polarizability
40.47429
Polar Surface Area
21.26
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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