Molecule

ID:29205

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₃NO
Molecular Mass
305.41342
Exact Mass
305.17796436
Charge
0
InChI
InChI=1S/C21H23NO/c1-16(2)18-10-5-6-13-21(18)23-15-14-22-20-12-7-9-17-8-3-4-11-19(17)20/h3-13,16,22H,14-15H2,1-2H3
InChIKey
SBCKTMWZBRPXQS-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1OCCNc1cccc2c1cccc2)C
Isomeric Smiles
c1(c(OCCNc2c3c(ccc2)cccc3)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.3180256
LogD (pH = 7.4)
5.3244767
Log P
5.3245597
Molar Refractivity
97.445
Polarizability
38.512794
Polar Surface Area
21.26
Rotatable Bonds
6
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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