Molecule

ID:29498

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO₂
Molecular Mass
347.4501
Exact Mass
347.18852905
Charge
0
InChI
InChI=1S/C23H25NO2/c1-3-9-20(10-4-1)11-8-16-24-21-12-7-15-23(19-21)26-18-17-25-22-13-5-2-6-14-22/h1-7,9-10,12-15,19,24H,8,11,16-18H2
InChIKey
CTVIVWKSZGEADG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)CCCNc1cccc(c1)OCCOc1ccccc1
Isomeric Smiles
c1c(NCCCc2ccccc2)cccc1OCCOc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.333015
LogD (pH = 7.4)
5.3893375
Log P
5.3901052
Molar Refractivity
107.2358
Polarizability
41.188725
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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