Molecule

ID:53435

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄N₂O₂
Molecular Mass
336.42746
Exact Mass
336.18377802
Charge
0
InChI
InChI=1S/C21H24N2O2/c24-21(23-13-15-6-5-11-22-12-15)25-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20,22H,5-6,11-14H2,(H,23,24)
InChIKey
WZHGXXJVKXQRNU-UHFFFAOYSA-N
Canonic Smiles
O=C(NCC1CCCNC1)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C1(c2c(c3c1cccc3)cccc2)COC(=O)NCC1CNCCC1
Calculated Properties
JChem
Acid pKa
15.75591
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.08341706
LogD (pH = 7.4)
0.46128806
Log P
3.1444852
Molar Refractivity
98.8742
Polarizability
39.85188
Polar Surface Area
50.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
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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