Molecule

ID:62174

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N₃O₂
Molecular Mass
291.3886
Exact Mass
291.19467706
Charge
0
InChI
InChI=1S/C16H25N3O2/c1-16(2,3)21-15(20)19-9-8-17-11-13(12-19)10-14-6-4-5-7-18-14/h4-7,13,17H,8-12H2,1-3H3
InChIKey
KZVRNEFTGMLNDG-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNCC(C1)Cc1ccccn1)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CC(Cc2ncccc2)CNCC1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4118606
LogD (pH = 7.4)
0.28725982
Log P
1.3282857
Molar Refractivity
81.841
Polarizability
32.383163
Polar Surface Area
54.46
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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