Molecule

ID:5468

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄N₂O₂
Molecular Mass
348.43816
Exact Mass
348.18377802
Charge
0
InChI
InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
InChIKey
BOPSUAHGQHFKGG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)c1cc(ccc1C)C(=O)NC1CC1)NCC1CC1
Isomeric Smiles
Cc1ccc(C(=O)NC2CC2)cc1c1ccc(cc1)C(=O)NCC1CC1
Calculated Properties
JChem
LogD (pH = 7.4)
3.53
LogD (pH = 5.5)
3.53
Log P
3.53
Rotatable Bonds
6
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
14.78
Polar Surface Area
58.20
Polarizability
40.40
Molar Refractivity
103.34
LOG S
-6.38
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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