Molecule

ID:62037

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂O
Molecular Mass
308.41736
Exact Mass
308.1888634
Charge
0
InChI
InChI=1S/C20H24N2O/c1-2-12-22-13-11-21-19(20(22)23)15-16-7-6-10-18(14-16)17-8-4-3-5-9-17/h3-10,14,19,21H,2,11-13,15H2,1H3
InChIKey
BPFWVFULZROXGD-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCNC(C1=O)Cc1cccc(c1)c1ccccc1
Isomeric Smiles
C1(=O)N(CCNC1Cc1cc(c2ccccc2)ccc1)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1322339
LogD (pH = 7.4)
3.3955355
Log P
3.5056357
Molar Refractivity
93.9463
Polarizability
38.104084
Polar Surface Area
32.34
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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