Molecule

ID:129309

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₆N₂O
Molecular Mass
346.46534
Exact Mass
346.20451346
Charge
0
InChI
InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
InChIKey
HGEYJZMMUGWEOT-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2
Isomeric Smiles
Oc1ccc2c(c1)c(c[nH]2)CCCCN1CC=C(c2ccccc2)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
3.16
LogD (pH = 5.5)
1.73
Log P
4.48
Rotatable Bonds
6
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.11
Polar Surface Area
39.26
Polarizability
41.59
Molar Refractivity
109.11
LOG S
-4.42
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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