Molecule

ID:69028

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₃
Molecular Mass
279.33484
Exact Mass
279.15829155
Charge
0
InChI
InChI=1S/C14H21N3O3/c1-14(2,3)20-13(18)17-9-5-11(6-10-17)19-12-15-7-4-8-16-12/h4,7-8,11H,5-6,9-10H2,1-3H3
InChIKey
PVRXZBXZDBAHGQ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)Oc1ncccn1)OC(C)(C)C
Isomeric Smiles
N1(CCC(CC1)Oc1ncccn1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.4977912
LogD (pH = 7.4)
1.4978013
Log P
1.4978014
Molar Refractivity
74.283
Polarizability
28.848406
Polar Surface Area
64.55
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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