Molecule

ID:110109

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀N₂O₂
Molecular Mass
296.3636
Exact Mass
296.15247789
Charge
0
InChI
InChI=1S/C18H20N2O2/c1-15(21)19(17-9-5-3-6-10-17)13-14-20(16(2)22)18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKey
FHTWCXSHJMLRNY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N(c1ccccc1)CCN(c1ccccc1)C(=O)C
Isomeric Smiles
CC(=O)N(CCN(C(=O)C)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9785196
LogD (pH = 7.4)
1.9785196
Log P
1.9785196
Molar Refractivity
86.1048
Polarizability
33.366364
Polar Surface Area
40.62
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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