Molecule

ID:28482

General Information
Structure
Molecular Formula
C₁₇H₂₄N₄O₂
Molecular Mass
316.39806
Exact Mass
316.18992603
Charge
0
InChI
InChI=1S/C17H24N4O2/c1-23-14-2-3-16-15(10-14)13(11-20-16)4-5-19-17(22)12-21-8-6-18-7-9-21/h2-3,10-11,18,20H,4-9,12H2,1H3,(H,19,22)
InChIKey
WSAXYDDBRZVMGT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(CCNC(=O)CN1CCNCC1)c[nH]2
Isomeric Smiles
[nH]1cc(c2c1ccc(c2)OC)CCNC(=O)CN1CCNCC1
Calculated Properties
JChem
Acid pKa
15.597289
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.5231729
LogD (pH = 7.4)
-1.0212903
Log P
0.5031829
Molar Refractivity
90.4643
Polarizability
36.317486
Polar Surface Area
69.39
Rotatable Bonds
6
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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