Molecule

ID:12343

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₇N₃O
Molecular Mass
349.46928
Exact Mass
349.2154125
Charge
0
InChI
InChI=1S/C22H27N3O/c1-17(26)25-14-9-19-7-8-21(15-22(19)25)23-20-10-12-24(13-11-20)16-18-5-3-2-4-6-18/h2-8,15,20,23H,9-14,16H2,1H3
InChIKey
ZWWYCLKNKWNZII-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCc2c1cc(cc2)NC1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(CCc2ccc(cc12)NC1CCN(CC1)Cc1ccccc1)C(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.79986155
LogD (pH = 7.4)
0.84554213
Log P
2.338968
Molar Refractivity
107.604
Polarizability
40.759537
Polar Surface Area
35.58
Rotatable Bonds
4
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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