Molecule

ID:29564

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₅NO
Molecular Mass
331.4507
Exact Mass
331.19361443
Charge
0
InChI
InChI=1S/C23H25NO/c1-2-3-17-25-23-12-8-7-11-22(23)24-18-19-13-15-21(16-14-19)20-9-5-4-6-10-20/h4-16,24H,2-3,17-18H2,1H3
InChIKey
NIQMWUQLWQEGCT-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccccc1NCc1ccc(cc1)c1ccccc1
Isomeric Smiles
N(c1c(OCCCC)cccc1)Cc1ccc(c2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
19.019411
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.960216
LogD (pH = 7.4)
5.983643
Log P
5.98395
Molar Refractivity
106.3374
Polarizability
42.059887
Polar Surface Area
21.26
Rotatable Bonds
8
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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