Molecule

ID:128512

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₃
Molecular Mass
304.38406
Exact Mass
304.17869264
Charge
0
InChI
InChI=1S/C17H24N2O3/c1-4-15(20)19(14-8-6-5-7-9-14)17(16(21)22-3)10-12-18(2)13-11-17/h5-9H,4,10-13H2,1-3H3
InChIKey
KKEVIELPQLXPRR-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N(C1(CCN(CC1)C)C(=O)OC)c1ccccc1
Isomeric Smiles
O=C(OC)C1(N(c2ccccc2)C(=O)CC)CCN(C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.3949321
LogD (pH = 7.4)
1.265615
Log P
1.6543888
Molar Refractivity
85.0084
Polarizability
33.34424
Polar Surface Area
49.85
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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