Molecule

ID:20818

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₇N₃O₂
Molecular Mass
317.42588
Exact Mass
317.21032712
Charge
0
InChI
InChI=1S/C18H27N3O2/c1-15(22)20-10-12-21(13-11-20)17-2-4-18(5-3-17)23-14-16-6-8-19-9-7-16/h2-5,16,19H,6-14H2,1H3
InChIKey
OEMQITRULYGRQW-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1CCN(CC1)c1ccc(cc1)OCC1CCNCC1
Isomeric Smiles
N1(C(=O)C)CCN(c2ccc(OCC3CCNCC3)cc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1421506
LogD (pH = 7.4)
-1.6688213
Log P
1.1019913
Molar Refractivity
92.2455
Polarizability
35.518147
Polar Surface Area
44.81
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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