Molecule

ID:61614

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₈N₂O₂
Molecular Mass
316.43782
Exact Mass
316.21507815
Charge
0
InChI
InChI=1S/C19H28N2O2/c1-18(2,3)23-17(22)21-14-19(15-21)9-11-20(12-10-19)13-16-7-5-4-6-8-16/h4-8H,9-15H2,1-3H3
InChIKey
MTPQMAJDIOUCHT-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2(C1)CCN(CC2)Cc1ccccc1)OC(C)(C)C
Isomeric Smiles
C1N(CC21CCN(CC2)Cc1ccccc1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.37428656
LogD (pH = 7.4)
1.1102203
Log P
2.9180014
Molar Refractivity
92.4817
Polarizability
36.237663
Polar Surface Area
32.78
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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