Molecule

ID:66008

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₄O₂
Molecular Mass
316.39806
Exact Mass
316.18992603
Charge
0
InChI
InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-9-7-20(8-10-21)12-13-11-19-15-14(13)5-4-6-18-15/h4-6,11H,7-10,12H2,1-3H3,(H,18,19)
InChIKey
VLYSQQLGOQCNQR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)Cc1c[nH]c2c1cccn2)OC(C)(C)C
Isomeric Smiles
c1(c[nH]c2c1cccn2)CN1CCN(C(=O)OC(C)(C)C)CC1
Calculated Properties
JChem
Acid pKa
15.168957
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3138145
LogD (pH = 7.4)
1.7373909
Log P
1.9104589
Molar Refractivity
89.2334
Polarizability
35.084553
Polar Surface Area
61.46
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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