Molecule

ID:48247

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁N₃O₂
Molecular Mass
263.33544
Exact Mass
263.16337693
Charge
0
InChI
InChI=1S/C14H21N3O2/c1-3-19-14(18)11-4-5-13(12(15)10-11)17-8-6-16(2)7-9-17/h4-5,10H,3,6-9,15H2,1-2H3
InChIKey
YHQXIXVKKUCLCW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCN(CC1)C
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6342231
LogD (pH = 7.4)
1.0428258
Log P
1.4597682
Molar Refractivity
78.011
Polarizability
28.87402
Polar Surface Area
58.8
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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